data_8
_audit_creation_date               2024-06-16
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety           '3(C236 H240 N16 Na2 O40 Rh8), 12(C F3 O3 S)'
_chemical_formula_sum              'C720 H720 F36 N48 Na6 O156 Rh24 S12'
_chemical_formula_weight           16217.90
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na' 'Na' 0.1104 0.0938 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh' 'Rh' -0.0161 2.8414
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S' 'S' 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'cubic'
_space_group_IT_number             205
_space_group_name_H-M_alt          'P a -3'
_space_group_name_Hall             '-P 2ac 2ab 3'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 'z, x, y'
 'z+1/2, -x+1/2, -y'
 '-z+1/2, -x, y+1/2'
 '-z, x+1/2, -y+1/2'
 'y, z, x'
 '-y, z+1/2, -x+1/2'
 'y+1/2, -z+1/2, -x'
 '-y+1/2, -z, x+1/2'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y-1/2, z'
 '-z, -x, -y'
 '-z-1/2, x-1/2, y'
 'z-1/2, x, -y-1/2'
 'z, -x-1/2, y-1/2'
 '-y, -z, -x'
 'y, -z-1/2, x-1/2'
 '-y-1/2, z-1/2, x'
 'y-1/2, z, -x-1/2'

_cell_length_a                     47.1899(10)
_cell_length_b                     47.1899(10)
_cell_length_c                     47.1899(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       105087(7)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9464
_cell_measurement_temperature      173.00
_cell_measurement_theta_max        49.72
_cell_measurement_theta_min        3.05
_shelx_estimated_absorpt_T_max     0.449
_shelx_estimated_absorpt_T_min     0.441
_exptl_absorpt_coefficient_mu      2.509
_exptl_absorpt_correction_T_max    0.386
_exptl_absorpt_correction_T_min    0.327
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'dark black'
_exptl_crystal_colour_modifier     dark
_exptl_crystal_colour_primary      black
_exptl_crystal_density_diffrn      1.025
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               33144
_exptl_crystal_size_max            0.39
_exptl_crystal_size_mid            0.38
_exptl_crystal_size_min            0.38
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1570
_diffrn_reflns_av_unetI/netI       0.0699
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.997
_diffrn_reflns_limit_h_max         53
_diffrn_reflns_limit_h_min         -48
_diffrn_reflns_limit_k_max         57
_diffrn_reflns_limit_k_min         -54
_diffrn_reflns_limit_l_max         46
_diffrn_reflns_limit_l_min         -56
_diffrn_reflns_number              371457
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           54.990
_diffrn_reflns_theta_min           2.702
_diffrn_ambient_temperature        173.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.997
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             GaK\a
_diffrn_radiation_wavelength       1.34139
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  11471
_reflns_number_total               33330
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      ?
_refine_diff_density_max           1.295
_refine_diff_density_min           -1.242
_refine_diff_density_rms           0.098
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.092
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1447
_refine_ls_number_reflns           33330
_refine_ls_number_restraints       196
_refine_ls_R_factor_all            0.1849
_refine_ls_R_factor_gt             0.1116
_refine_ls_restrained_S_all        1.102
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.3327
_refine_ls_wR_factor_ref           0.4041
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 Rh1-C79 = Rh1-C82
 2.2 with sigma of 0.01
 O20-C120 = O20-C24
 1.4 with sigma of 0.01
 C122-O19
 1.4 with sigma of 0.01
 O19-C121
 1.4 with sigma of 0.01
 O19-H19
 0.87 with sigma of 0.01
 O19-H19A
 0.87 with sigma of 0.01
 Rh1-C80
 2.2 with sigma of 0.01
 Rh1-C79
 2.2 with sigma of 0.01
 Rh1-C81
 2.2 with sigma of 0.01
 O20-H20C
 0.87 with sigma of 0.01
 O20-H20
 0.87 with sigma of 0.01
 C120-Na2
 3.211 with sigma of 0.01
 C120-H20
 1.879665 with sigma of 0.02
 C122-H19
 1.877809 with sigma of 0.02
 Na2-H19
 2.876783 with sigma of 0.02
 Na2-H19A
 2.712163 with sigma of 0.02
 C121-H19A
 1.885951 with sigma of 0.02
 C24-H20C
 1.869564 with sigma of 0.02
 Na2-H20
 2.782841 with sigma of 0.02
 Na2-H20C
 2.764499 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O20 \\sim C120: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C122 \\sim O19: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C121 \\sim O19: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C117 \\sim C112: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C121) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C101) \\sim Ueq, Uanis(C106) \\sim Ueq, Uanis(C100) \\sim Ueq,
Uanis(C105) \\sim Ueq, Uanis(C99) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C115) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C117) \\sim Ueq, Uanis(C112) \\sim Ueq, Uanis(C108) \\sim Ueq,
Uanis(C111) \\sim Ueq, Uanis(C113) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C109) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C110) \\sim Ueq, Uanis(C114) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C82) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C84) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C85) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C83) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(N6) \\sim Ueq, Uanis(N5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Na2) = Uanis(O20)
Uanis(C108) = Uanis(C113)
Uanis(C111) = Uanis(C112)
Uanis(C119) = Uanis(S2)
4. Rigid body (RIGU) restrains
 O20, C120
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C24, O20
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
5. Others
 Fixed Sof: H19A(0.5) H19(0.5) H20C(0.5) H20(0.5) C24(0.5) H24A(0.5) H24B(0.5)
 H24C(0.5) C120(0.5) H12A(0.5) H12B(0.5) H12C(0.5) C121(0.5) H12D(0.5)
 H12E(0.5) H12F(0.5) C122(0.5) H12G(0.5) H12H(0.5) H12I(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C21(H21A,H21B), C26(H26A,H26B), C27(H27A,H27B), C20(H20A,
 H20B), C25(H25A,H25B), C22(H22A,H22B), C19(H19B,H19C)
6.b Me refined with riding coordinates:
 C107(H10A,H10B,H10C), C106(H10D,H10E,H10F), C105(H10G,H10H,H10I), C104(H10J,
 H10K,H10L), C103(H10M,H10N,H10O), C115(H11A,H11B,H11C), C114(H11D,H11E,H11F),
 C113(H11G,H11H,H11I), C117(H11J,H11K,H11L), C116(H11M,H11N,H11O), C97(H97A,
 H97B,H97C), C24(H24A,H24B,H24C), C120(H12A,H12B,H12C), C121(H12D,H12E,H12F),
 C122(H12G,H12H,H12I)
6.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C37(H37), C32(H32), C10(H10), C45(H45), C14(H14), C60(H60),
 C43(H43), C40(H40), C73(H73), C35(H35), C42(H42), C68(H68), C53(H53), C16(H16),
  C13(H13), C7(H7), C59(H59), C49(H49), C2(H2), C6(H6), C38(H38), C67(H67),
 C54(H54), C44(H44), C50(H50), C5(H5), C41(H41), C74(H74), C4(H4), C15(H15),
 C17(H17), C30(H30), C48(H48), C1(H1), C47(H47)
6.d Cp* refined as free rotating group:
 C102(C101,C100,C99,C98,C107,C106,C105,C104,C103), C80(C81,C82,C78,C79,C85,C86,
 C87,C83,C84), C110(C109,C108,C112,C111,C115,C114,C113,C117,C116)
6.e Idealised Me refined as rotating group:
 C85(H85A,H85B,H85C), C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C83(H83A,H83B,
 H83C), C84(H84A,H84B,H84C), C94(H94A,H94B,H94C), C96(H96A,H96B,H96C), C93(H93A,
 H93B,H93C), C95(H95A,H95B,H95C)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Rh4 Rh 0.58882(2) 0.79818(2) 0.03796(2) 0.1318(3) Uani 1 1 d . . . . .
 Rh1 Rh 0.74944(2) 0.64465(2) 0.11719(2) 0.1427(4) Uani 1 1 d D . . . .
 Rh2 Rh 0.58485(2) 0.55675(2) 0.29624(2) 0.1493(4) Uani 1 1 d . . . . .
 Rh3 Rh 0.42302(3) 0.70637(2) 0.21534(2) 0.1687(5) Uani 1 1 d . . . . .
 S1 S 0.41779(7) 0.78541(7) 0.31386(7) 0.1344(9) Uani 1 1 d . . . . .
 S2 S 0.72929(8) 0.88275(8) -0.01375(9) 0.1596(11) Uani 1 1 d . . . . .
 O18 O 0.63436(15) 0.39919(14) 0.11717(14) 0.1239(19) Uani 1 1 d . . . . .
 O13 O 0.66983(13) 0.41626(14) 0.08081(16) 0.1219(19) Uani 1 1 d . . . . .
 N8 N 0.6291(2) 0.7598(2) 0.0134(2) 0.121(3) Uani 1 1 d . . . . .
 O1 O 0.70955(18) 0.66329(17) 0.1062(2) 0.148(3) Uani 1 1 d . . . . .
 O26 O 0.43057(16) 0.75773(16) 0.31858(17) 0.146(2) Uani 1 1 d . . . . .
 O17 O 0.60100(15) 0.35175(15) 0.10666(13) 0.125(2) Uani 1 1 d . . . . .
 O25 O 0.42930(15) 0.80804(16) 0.33018(16) 0.139(2) Uani 1 1 d . . . . .
 C58 C 0.6713(3) 0.7294(2) 0.0044(3) 0.123(3) Uani 1 1 d . . . . .
 C39 C 0.4920(2) 0.2623(2) -0.0118(2) 0.120(3) Uani 1 1 d . . . . .
 C11 C 0.6168(2) 0.4835(2) 0.1882(2) 0.114(3) Uani 1 1 d . . . . .
 H11 H 0.607890 0.465432 0.187435 0.136 Uiso 1 1 calc R U . . .
 C37 C 0.5369(3) 0.2900(2) -0.0191(2) 0.113(3) Uani 1 1 d . . . . .
 H37 H 0.534742 0.286345 -0.038808 0.136 Uiso 1 1 calc R U . . .
 O2 O 0.74938(18) 0.64599(17) 0.07375(17) 0.146(2) Uani 1 1 d . . . . .
 C56 C 0.6261(3) 0.7505(2) 0.0398(3) 0.115(3) Uani 1 1 d . . . . .
 O3 O 0.75268(18) 0.66397(17) 0.02083(18) 0.139(2) Uani 1 1 d . . . . .
 O14 O 0.67476(14) 0.38801(16) 0.02948(15) 0.129(2) Uani 1 1 d . . . . .
 O16 O 0.59949(15) 0.32993(15) 0.05257(17) 0.132(2) Uani 1 1 d . . . . .
 C18 C 0.6421(2) 0.4269(2) 0.1200(2) 0.110(3) Uani 1 1 d . . . . .
 C32 C 0.5661(2) 0.31008(19) 0.0170(2) 0.107(3) Uani 1 1 d . . . . .
 H32 H 0.553796 0.302652 0.031074 0.129 Uiso 1 1 calc R U . . .
 N7 N 0.7290(2) 0.66381(19) 0.0639(3) 0.129(3) Uani 1 1 d . . . . .
 C57 C 0.6490(2) 0.7515(2) -0.0053(3) 0.114(3) Uani 1 1 d . . . . .
 O15 O 0.63378(15) 0.34810(14) 0.01478(14) 0.1183(18) Uani 1 1 d . . . . .
 C33 C 0.5603(2) 0.30586(18) -0.0120(2) 0.097(2) Uani 1 1 d . . . . .
 C10 C 0.6346(2) 0.48960(17) 0.16764(19) 0.100(2) Uani 1 1 d . . . . .
 H10 H 0.642816 0.507953 0.168804 0.120 Uiso 1 1 calc R U . . .
 C45 C 0.5924(2) 0.31961(19) -0.0841(2) 0.107(3) Uani 1 1 d . . . . .
 H45 H 0.608854 0.330102 -0.079142 0.129 Uiso 1 1 calc R U . . .
 C51 C 0.7085(3) 0.6718(3) 0.0820(4) 0.140(4) Uani 1 1 d . . . . .
 C28 C 0.6916(3) 0.4248(3) 0.0603(2) 0.134(3) Uani 1 1 d . . . . .
 H28A H 0.708475 0.432321 0.070210 0.161 Uiso 1 1 calc R U . . .
 H28B H 0.684147 0.439636 0.047453 0.161 Uiso 1 1 calc R U . . .
 O5 O 0.61030(16) 0.77956(17) 0.00372(16) 0.135(2) Uani 1 1 d . . . . .
 C14 C 0.5840(2) 0.5067(3) 0.2553(3) 0.145(4) Uani 1 1 d . . . . .
 H14 H 0.571049 0.499099 0.268670 0.174 Uiso 1 1 calc R U . . .
 C55 C 0.6468(2) 0.7305(2) 0.0509(3) 0.111(3) Uani 1 1 d . . . . .
 O4 O 0.65039(16) 0.76110(16) -0.02917(17) 0.135(2) Uani 1 1 d . . . . .
 N3 N 0.4453(2) 0.22812(17) -0.0264(2) 0.125(3) Uani 1 1 d . . . . .
 C60 C 0.7116(2) 0.7003(2) -0.0030(3) 0.126(3) Uani 1 1 d . . . . .
 H60 H 0.726331 0.693413 -0.014843 0.151 Uiso 1 1 calc R U . . .
 O6 O 0.60826(17) 0.76064(17) 0.05619(18) 0.138(2) Uani 1 1 d . . . . .
 C64 C 0.6684(3) 0.7210(2) 0.0325(3) 0.128(3) Uani 1 1 d . . . . .
 N2 N 0.59433(18) 0.5337(2) 0.25925(19) 0.133(3) Uani 1 1 d . . . . .
 C43 C 0.4865(2) 0.2552(2) -0.0397(2) 0.116(3) Uani 1 1 d . . . . .
 H43 H 0.498442 0.262190 -0.054358 0.139 Uiso 1 1 calc R U . . .
 O21 O 0.70383(18) 0.8984(2) -0.0065(2) 0.176(3) Uani 1 1 d . . . . .
 C40 C 0.4737(3) 0.2511(2) 0.0081(2) 0.134(3) Uani 1 1 d . . . . .
 H40 H 0.476959 0.255010 0.027591 0.161 Uiso 1 1 calc R U . . .
 C34 C 0.5800(2) 0.31680(19) -0.0330(2) 0.105(3) Uani 1 1 d . . . . .
 O10 O 0.4911(2) 0.5250(2) 0.3013(2) 0.167(3) Uani 1 1 d . . . . .
 C73 C 0.5011(4) 0.6401(3) 0.2337(2) 0.135(4) Uani 1 1 d . . . . .
 H73 H 0.506468 0.656662 0.223636 0.162 Uiso 1 1 calc R U . . .
 O7 O 0.4578(2) 0.6765(2) 0.21502(17) 0.156(3) Uani 1 1 d . . . . .
 C63 C 0.6886(3) 0.7010(3) 0.0423(2) 0.118(3) Uani 1 1 d . . . . .
 C8 C 0.66307(18) 0.4818(2) 0.1237(2) 0.109(3) Uani 1 1 d . . . . .
 C46 C 0.5883(2) 0.31467(19) -0.1140(2) 0.112(3) Uani 1 1 d . . . . .
 C36 C 0.6096(3) 0.3346(2) 0.0048(2) 0.115(3) Uani 1 1 d . . . . .
 C9 C 0.64390(19) 0.4728(2) 0.1432(2) 0.107(3) Uani 1 1 d . . . . .
 C29 C 0.6620(2) 0.4366(2) 0.1001(2) 0.110(3) Uani 1 1 d . . . . .
 O11 O 0.54512(19) 0.53715(19) 0.29548(19) 0.152(3) Uani 1 1 d . . . . .
 C75 C 0.5140(3) 0.5969(3) 0.2595(2) 0.130(4) Uani 1 1 d . . . . .
 C35 C 0.6038(2) 0.3309(2) -0.0228(3) 0.122(3) Uani 1 1 d . . . . .
 H35 H 0.616726 0.338331 -0.036258 0.146 Uiso 1 1 calc R U . . .
 C12 C 0.6094(2) 0.5013(2) 0.2117(2) 0.115(3) Uani 1 1 d . . . . .
 F6 F 0.75411(16) 0.83959(17) 0.0087(2) 0.204(3) Uani 1 1 d . . . . .
 O23 O 0.75555(16) 0.89788(16) -0.01424(18) 0.147(2) Uani 1 1 d . . . . .
 O12 O 0.5603(2) 0.58441(17) 0.26865(18) 0.150(3) Uani 1 1 d . . . . .
 N6 N 0.4233(3) 0.6486(3) 0.2306(2) 0.146(3) Uani 1 1 d . U . . .
 O24 O 0.41397(19) 0.79277(19) 0.28414(18) 0.171(3) Uani 1 1 d . . . . .
 C102 C 0.61963(14) 0.58188(14) 0.31098(12) 0.166(5) Uani 1 1 d G . . . .
 C101 C 0.59511(15) 0.58830(14) 0.32720(13) 0.166(5) Uani 1 1 d G U . . .
 C100 C 0.58614(14) 0.56305(15) 0.34089(12) 0.174(5) Uani 1 1 d G U . . .
 C99 C 0.60511(14) 0.54102(13) 0.33313(11) 0.160(4) Uani 1 1 d G U . . .
 C98 C 0.62581(12) 0.55266(14) 0.31465(11) 0.159(5) Uani 1 1 d G . . . .
 C107 C 0.63621(18) 0.60249(17) 0.29300(17) 0.195(7) Uani 1 1 d G . . . .
 H10A H 0.627457 0.621283 0.294156 0.292 Uiso 1 1 calc R U . . .
 H10B H 0.655770 0.603527 0.299912 0.292 Uiso 1 1 calc R U . . .
 H10C H 0.636183 0.596038 0.273261 0.292 Uiso 1 1 calc R U . . .
 C106 C 0.5811(2) 0.61694(15) 0.3295(2) 0.204(6) Uani 1 1 d G U . . .
 H10D H 0.564542 0.615567 0.342002 0.307 Uiso 1 1 calc R U . . .
 H10E H 0.594538 0.630668 0.337288 0.307 Uiso 1 1 calc R U . . .
 H10F H 0.574951 0.623178 0.310637 0.307 Uiso 1 1 calc R U . . .
 C105 C 0.56087(17) 0.5601(2) 0.36028(17) 0.204(6) Uani 1 1 d G U . . .
 H10G H 0.559421 0.540493 0.366861 0.306 Uiso 1 1 calc R U . . .
 H10H H 0.563181 0.572757 0.376608 0.306 Uiso 1 1 calc R U . . .
 H10I H 0.543594 0.565268 0.349956 0.306 Uiso 1 1 calc R U . . .
 C104 C 0.6036(2) 0.51058(14) 0.34283(17) 0.213(8) Uani 1 1 d G . . . .
 H10J H 0.587263 0.508171 0.355482 0.319 Uiso 1 1 calc R U . . .
 H10K H 0.601401 0.498157 0.326329 0.319 Uiso 1 1 calc R U . . .
 H10L H 0.620989 0.505646 0.352981 0.319 Uiso 1 1 calc R U . . .
 C103 C 0.65012(15) 0.53675(18) 0.30125(17) 0.169(5) Uani 1 1 d G . . . .
 H10M H 0.649544 0.516884 0.307261 0.253 Uiso 1 1 calc R U . . .
 H10N H 0.648508 0.537783 0.280573 0.253 Uiso 1 1 calc R U . . .
 H10O H 0.668095 0.545272 0.307225 0.253 Uiso 1 1 calc R U . . .
 O8 O 0.4044(2) 0.66665(19) 0.22243(17) 0.149(3) Uani 1 1 d . . . . .
 C42 C 0.4644(2) 0.2385(2) -0.0464(3) 0.117(3) Uani 1 1 d . . . . .
 H42 H 0.461583 0.233570 -0.065727 0.140 Uiso 1 1 calc R U . . .
 C21 C 0.5989(3) 0.3222(3) 0.1010(2) 0.137(4) Uani 1 1 d . . . . .
 H21A H 0.589294 0.312554 0.116953 0.164 Uiso 1 1 calc R U . . .
 H21B H 0.618128 0.313972 0.098982 0.164 Uiso 1 1 calc R U . . .
 N5 N 0.5251(3) 0.5546(3) 0.2843(2) 0.141(3) Uani 1 1 d . U . . .
 C80 C 0.76450(13) 0.67955(11) 0.14338(13) 0.167(4) Uani 1 1 d DG U . . .
 C81 C 0.78603(12) 0.67126(12) 0.12407(12) 0.166(5) Uani 1 1 d DG . . . .
 C82 C 0.79297(10) 0.64252(12) 0.12966(12) 0.161(4) Uani 1 1 d DG U . . .
 C78 C 0.77572(12) 0.63305(12) 0.15243(11) 0.145(4) Uani 1 1 d G . . . .
 C79 C 0.75813(13) 0.65594(13) 0.16091(10) 0.170(5) Uani 1 1 d DG U . . .
 C85 C 0.75079(19) 0.70841(13) 0.14499(19) 0.229(7) Uani 1 1 d G U . . .
 H85A H 0.762260 0.722123 0.134436 0.344 Uiso 1 1 calc R U . . .
 H85B H 0.749443 0.714332 0.164852 0.344 Uiso 1 1 calc R U . . .
 H85C H 0.731750 0.707497 0.136739 0.344 Uiso 1 1 calc R U . . .
 C86 C 0.79923(17) 0.68974(16) 0.10154(17) 0.203(6) Uani 1 1 d G . . . .
 H86A H 0.813260 0.702325 0.110265 0.305 Uiso 1 1 calc R U . . .
 H86B H 0.784457 0.701129 0.092404 0.305 Uiso 1 1 calc R U . . .
 H86C H 0.808528 0.677783 0.087344 0.305 Uiso 1 1 calc R U . . .
 C87 C 0.81483(13) 0.62509(16) 0.11413(18) 0.182(5) Uani 1 1 d G . . . .
 H87A H 0.814576 0.630033 0.093958 0.272 Uiso 1 1 calc R U . . .
 H87B H 0.810465 0.604908 0.116361 0.272 Uiso 1 1 calc R U . . .
 H87C H 0.833657 0.629005 0.121974 0.272 Uiso 1 1 calc R U . . .
 C83 C 0.77604(18) 0.60379(14) 0.16535(16) 0.178(5) Uani 1 1 d G U . . .
 H83A H 0.764463 0.603709 0.182590 0.267 Uiso 1 1 calc R U . . .
 H83B H 0.795561 0.598528 0.170095 0.267 Uiso 1 1 calc R U . . .
 H83C H 0.768300 0.590132 0.151752 0.267 Uiso 1 1 calc R U . . .
 C84 C 0.73646(18) 0.65528(19) 0.18443(13) 0.204(6) Uani 1 1 d G U . . .
 H84A H 0.718703 0.663716 0.177718 0.307 Uiso 1 1 calc R U . . .
 H84B H 0.743548 0.666093 0.200678 0.307 Uiso 1 1 calc R U . . .
 H84C H 0.733046 0.635614 0.190152 0.307 Uiso 1 1 calc R U . . .
 C31 C 0.5909(3) 0.3257(2) 0.0250(3) 0.120(3) Uani 1 1 d . . . . .
 C68 C 0.4277(3) 0.5791(4) 0.2696(3) 0.148(4) Uani 1 1 d . . . . .
 H68 H 0.408149 0.575041 0.272086 0.178 Uiso 1 1 calc R U . . .
 C53 C 0.6651(3) 0.7012(3) 0.0889(3) 0.131(4) Uani 1 1 d . . . . .
 H53 H 0.663968 0.694536 0.107846 0.157 Uiso 1 1 calc R U . . .
 C16 C 0.6198(2) 0.5285(2) 0.2175(2) 0.120(3) Uani 1 1 d . . . . .
 H16 H 0.632542 0.537212 0.204499 0.144 Uiso 1 1 calc R U . . .
 C13 C 0.5917(2) 0.4909(3) 0.2333(3) 0.136(4) Uani 1 1 d . . . . .
 H13 H 0.584943 0.472000 0.232080 0.163 Uiso 1 1 calc R U . . .
 C7 C 0.67631(18) 0.5097(2) 0.1241(2) 0.101(2) Uani 1 1 d . . . . .
 H7 H 0.671566 0.520768 0.140241 0.121 Uiso 1 1 calc R U . . .
 F5 F 0.73535(18) 0.8708(2) 0.0387(2) 0.213(3) Uani 1 1 d . . . . .
 C23 C 0.5356(4) 0.5778(3) 0.2704(3) 0.142(4) Uani 1 1 d . . . . .
 F1 F 0.3825(2) 0.77384(19) 0.3538(3) 0.202(3) Uani 1 1 d . . . . .
 C71 C 0.4517(4) 0.6523(3) 0.2281(3) 0.142(4) Uani 1 1 d . . . . .
 N4 N 0.5810(3) 0.30223(19) -0.17173(19) 0.134(3) Uani 1 1 d . . . . .
 O9 O 0.3887(2) 0.62131(19) 0.24941(17) 0.154(3) Uani 1 1 d . . . . .
 C59 C 0.6912(3) 0.7202(2) -0.0141(3) 0.121(3) Uani 1 1 d . . . . .
 H59 H 0.691787 0.726474 -0.033173 0.145 Uiso 1 1 calc R U . . .
 C88 C 0.6077(4) 0.8291(3) 0.0659(4) 0.164(5) Uani 1 1 d . . . . .
 C49 C 0.5650(3) 0.2927(2) -0.1531(3) 0.135(4) Uani 1 1 d . . . . .
 H49 H 0.549944 0.281104 -0.159927 0.162 Uiso 1 1 calc R U . . .
 C26 C 0.6812(2) 0.3643(3) 0.0128(3) 0.145(4) Uani 1 1 d . . . . .
 H26A H 0.687568 0.348519 0.025162 0.174 Uiso 1 1 calc R U . . .
 H26B H 0.696868 0.368949 -0.000347 0.174 Uiso 1 1 calc R U . . .
 C27 C 0.6987(2) 0.3990(3) 0.0444(3) 0.139(4) Uani 1 1 d . . . . .
 H27A H 0.713989 0.403284 0.030706 0.167 Uiso 1 1 calc R U . . .
 H27B H 0.705831 0.384400 0.057689 0.167 Uiso 1 1 calc R U . . .
 C2 C 0.7007(2) 0.5684(2) 0.1303(3) 0.134(4) Uani 1 1 d . . . . .
 H2 H 0.688437 0.562339 0.145100 0.161 Uiso 1 1 calc R U . . .
 C52 C 0.6864(3) 0.6921(2) 0.0704(3) 0.140(4) Uani 1 1 d . . . . .
 C6 C 0.6931(2) 0.5219(2) 0.1068(2) 0.122(3) Uani 1 1 d . . . . .
 H6 H 0.698460 0.511188 0.090673 0.146 Uiso 1 1 calc R U . . .
 C38 C 0.5168(2) 0.2790(2) -0.0027(2) 0.116(3) Uani 1 1 d . . . . .
 H38 H 0.518696 0.282303 0.017111 0.139 Uiso 1 1 calc R U . . .
 C66 C 0.4755(3) 0.5662(3) 0.2758(3) 0.132(4) Uani 1 1 d . . . . .
 C67 C 0.4482(4) 0.5609(4) 0.2803(3) 0.159(5) Uani 1 1 d . . . . .
 H67 H 0.442699 0.544653 0.290852 0.190 Uiso 1 1 calc R U . . .
 C54 C 0.6459(3) 0.7205(3) 0.0779(3) 0.143(4) Uani 1 1 d . . . . .
 H54 H 0.631193 0.727049 0.089994 0.172 Uiso 1 1 calc R U . . .
 C44 C 0.5767(2) 0.3116(2) -0.0634(3) 0.123(3) Uani 1 1 d . . . . .
 H44 H 0.560487 0.300821 -0.068617 0.147 Uiso 1 1 calc R U . . .
 C110 C 0.39264(14) 0.73613(14) 0.23171(16) 0.170(5) Uani 1 1 d G U . . .
 C109 C 0.40925(15) 0.72403(13) 0.25369(14) 0.178(5) Uani 1 1 d G U . . .
 C108 C 0.43802(15) 0.73129(14) 0.24869(14) 0.197(4) Uani 1 1 d G U . . .
 C112 C 0.43919(16) 0.74789(13) 0.22361(15) 0.181(4) Uani 1 1 d G U . . .
 C111 C 0.41114(17) 0.75088(13) 0.21312(14) 0.181(4) Uani 1 1 d G U . . .
 C115 C 0.36089(14) 0.7337(2) 0.2286(2) 0.246(8) Uani 1 1 d G U . . .
 H11A H 0.353256 0.722430 0.244301 0.370 Uiso 1 1 calc R U . . .
 H11B H 0.352450 0.752715 0.229062 0.370 Uiso 1 1 calc R U . . .
 H11C H 0.356350 0.724539 0.210596 0.370 Uiso 1 1 calc R U . . .
 C114 C 0.3983(2) 0.70651(19) 0.27809(17) 0.194(6) Uani 1 1 d G U . . .
 H11D H 0.414120 0.700774 0.290201 0.291 Uiso 1 1 calc R U . . .
 H11E H 0.384799 0.717783 0.289196 0.291 Uiso 1 1 calc R U . . .
 H11F H 0.388699 0.689607 0.270730 0.291 Uiso 1 1 calc R U . . .
 C113 C 0.46297(17) 0.7229(2) 0.26683(18) 0.197(4) Uani 1 1 d G U . . .
 H11G H 0.456332 0.711432 0.282854 0.295 Uiso 1 1 calc R U . . .
 H11H H 0.476342 0.711736 0.255476 0.295 Uiso 1 1 calc R U . . .
 H11I H 0.472442 0.739912 0.273942 0.295 Uiso 1 1 calc R U . . .
 C117 C 0.46561(19) 0.7602(2) 0.2104(2) 0.238(6) Uani 1 1 d G U . . .
 H11J H 0.460518 0.770725 0.193268 0.357 Uiso 1 1 calc R U . . .
 H11K H 0.474778 0.772997 0.223953 0.357 Uiso 1 1 calc R U . . .
 H11L H 0.478678 0.744822 0.205487 0.357 Uiso 1 1 calc R U . . .
 C116 C 0.4025(2) 0.76692(18) 0.18683(16) 0.235(8) Uani 1 1 d G . . . .
 H11M H 0.419370 0.775115 0.177877 0.352 Uiso 1 1 calc R U . . .
 H11N H 0.393242 0.753938 0.173531 0.352 Uiso 1 1 calc R U . . .
 H11O H 0.389341 0.782113 0.191997 0.352 Uiso 1 1 calc R U . . .
 C91 C 0.5826(3) 0.8410(2) 0.0244(4) 0.146(4) Uani 1 1 d . . . . .
 C65 C 0.4960(3) 0.5476(5) 0.2884(3) 0.157(5) Uani 1 1 d . . . . .
 C92 C 0.6117(4) 0.8369(3) 0.0365(3) 0.162(5) Uani 1 1 d . . . . .
 C50 C 0.5657(2) 0.2963(2) -0.1243(2) 0.125(3) Uani 1 1 d . . . . .
 H50 H 0.552509 0.287475 -0.111962 0.150 Uiso 1 1 calc R U . . .
 C5 C 0.7364(3) 0.5871(3) 0.0916(3) 0.146(4) Uani 1 1 d . . . . .
 H5 H 0.749495 0.593415 0.077718 0.176 Uiso 1 1 calc R U . . .
 F3 F 0.36876(19) 0.8040(2) 0.3248(2) 0.216(4) Uani 1 1 d . . . . .
 C77 C 0.4635(4) 0.6092(3) 0.2515(2) 0.124(3) Uani 1 1 d . . . . .
 C118 C 0.3826(3) 0.7799(4) 0.3258(5) 0.172(5) Uani 1 1 d . . . . .
 C94 C 0.5659(4) 0.8184(3) 0.0990(4) 0.196(6) Uani 1 1 d . . . . .
 H94A H 0.548185 0.808075 0.095927 0.294 Uiso 1 1 calc R U . . .
 H94B H 0.562132 0.835601 0.109993 0.294 Uiso 1 1 calc R U . . .
 H94C H 0.579210 0.806307 0.109506 0.294 Uiso 1 1 calc R U . . .
 C62 C 0.7329(3) 0.6731(3) 0.0357(4) 0.138(4) Uani 1 1 d . . . . .
 C72 C 0.4731(4) 0.6350(4) 0.2378(3) 0.142(4) Uani 1 1 d . . . . .
 C76 C 0.4849(4) 0.5918(3) 0.2611(2) 0.131(4) Uani 1 1 d . . . . .
 C69 C 0.4361(4) 0.6033(4) 0.2552(3) 0.145(4) Uani 1 1 d . . . . .
 C41 C 0.4507(2) 0.2342(2) 0.0006(3) 0.133(3) Uani 1 1 d . . . . .
 H41 H 0.438664 0.226968 0.015059 0.160 Uiso 1 1 calc R U . . .
 C20 C 0.6141(3) 0.3564(2) 0.1332(2) 0.130(3) Uani 1 1 d . . . . .
 H20A H 0.633391 0.348085 0.133252 0.156 Uiso 1 1 calc R U . . .
 H20B H 0.602959 0.347207 0.148434 0.156 Uiso 1 1 calc R U . . .
 C3 C 0.7051(2) 0.5505(2) 0.1087(2) 0.110(3) Uani 1 1 d . . . . .
 F2 F 0.3690(2) 0.7616(2) 0.3114(3) 0.242(5) Uani 1 1 d . . . . .
 C96 C 0.5760(3) 0.8510(3) -0.0035(3) 0.168(5) Uani 1 1 d . . . . .
 H96A H 0.591487 0.846057 -0.016443 0.252 Uiso 1 1 calc R U . . .
 H96B H 0.573701 0.871631 -0.003036 0.252 Uiso 1 1 calc R U . . .
 H96C H 0.558417 0.842172 -0.010012 0.252 Uiso 1 1 calc R U . . .
 C93 C 0.6329(4) 0.8215(4) 0.0844(4) 0.236(9) Uani 1 1 d . . . . .
 H93A H 0.628354 0.804641 0.095701 0.354 Uiso 1 1 calc R U . . .
 H93B H 0.637324 0.837318 0.097070 0.354 Uiso 1 1 calc R U . . .
 H93C H 0.649376 0.817446 0.072373 0.354 Uiso 1 1 calc R U . . .
 O22 O 0.7257(2) 0.8654(2) -0.0394(2) 0.203(4) Uani 1 1 d . . . . .
 C90 C 0.5633(3) 0.8347(3) 0.0477(4) 0.141(4) Uani 1 1 d . . . . .
 C74 C 0.5208(3) 0.6232(3) 0.2431(3) 0.144(4) Uani 1 1 d . . . . .
 H74 H 0.540103 0.627783 0.239503 0.172 Uiso 1 1 calc R U . . .
 C25 C 0.6554(2) 0.3552(3) -0.0039(3) 0.144(4) Uani 1 1 d . . . . .
 H25A H 0.649144 0.370778 -0.016423 0.173 Uiso 1 1 calc R U . . .
 H25B H 0.660126 0.338602 -0.015870 0.173 Uiso 1 1 calc R U . . .
 C70 C 0.4145(4) 0.6230(4) 0.2466(3) 0.152(5) Uani 1 1 d . . . . .
 C22 C 0.5820(3) 0.3177(2) 0.0734(2) 0.131(3) Uani 1 1 d . . . . .
 H22A H 0.578842 0.297315 0.069665 0.157 Uiso 1 1 calc R U . . .
 H22B H 0.563378 0.327438 0.074296 0.157 Uiso 1 1 calc R U . . .
 F4 F 0.70795(17) 0.8419(2) 0.0151(3) 0.256(5) Uani 1 1 d . . . . .
 C119 C 0.7332(3) 0.8579(3) 0.0123(4) 0.1596(11) Uani 1 1 d . . . . .
 C95 C 0.5310(3) 0.8354(3) 0.0448(3) 0.182(5) Uani 1 1 d . . . . .
 H95A H 0.524886 0.820369 0.031847 0.273 Uiso 1 1 calc R U . . .
 H95B H 0.525118 0.853851 0.037226 0.273 Uiso 1 1 calc R U . . .
 H95C H 0.522264 0.832490 0.063411 0.273 Uiso 1 1 calc R U . . .
 C97 C 0.6386(3) 0.8434(3) 0.0210(3) 0.181(5) Uani 1 1 d . . . . .
 H97A H 0.634210 0.847867 0.001177 0.272 Uiso 1 1 calc R U . . .
 H97B H 0.647966 0.859633 0.029855 0.272 Uiso 1 1 calc R U . . .
 H97C H 0.651186 0.826874 0.021699 0.272 Uiso 1 1 calc R U . . .
 C89 C 0.5783(4) 0.8260(3) 0.0718(4) 0.162(5) Uani 1 1 d . . . . .
 O19 O 0.6674(2) 0.3413(2) 0.0825(2) 0.176(3) Uani 1 1 d D U . . .
 H19A H 0.6568(4) 0.3284(18) 0.091(3) 0.265 Uiso 0.5 1 d D U P A -1
 H19 H 0.674(4) 0.344(3) 0.100(2) 0.265 Uiso 0.5 1 d D U P B -2
 N1 N 0.73004(17) 0.6050(2) 0.1129(2) 0.132(3) Uani 1 1 d . . . . .
 C4 C 0.7256(3) 0.5610(3) 0.0887(3) 0.141(4) Uani 1 1 d . . . . .
 H4 H 0.731385 0.549425 0.073276 0.170 Uiso 1 1 calc R U . . .
 C15 C 0.6123(2) 0.5424(2) 0.2406(2) 0.113(3) Uani 1 1 d . . . . .
 H15 H 0.620829 0.560315 0.243727 0.136 Uiso 1 1 calc R U . . .
 C61 C 0.7098(2) 0.6912(2) 0.0245(3) 0.116(3) Uani 1 1 d . . . . .
 O20 O 0.60137(16) 0.40452(17) 0.05152(17) 0.1447(12) Uani 1 1 d D U . . .
 H20C H 0.5905(14) 0.4135(18) 0.0638(5) 0.217 Uiso 0.5 1 d D U P C -1
 H20 H 0.5843(9) 0.3995(6) 0.046(3) 0.217 Uiso 0.5 1 d D U P D -2
 C17 C 0.6330(2) 0.4446(2) 0.1409(2) 0.111(3) Uani 1 1 d . . . . .
 H17 H 0.619273 0.438109 0.154119 0.133 Uiso 1 1 calc R U . . .
 C30 C 0.6714(2) 0.4629(2) 0.1014(2) 0.112(3) Uani 1 1 d . . . . .
 H30 H 0.684144 0.469517 0.087235 0.134 Uiso 1 1 calc R U . . .
 C19 C 0.6158(3) 0.3874(2) 0.1383(2) 0.139(4) Uani 1 1 d . . . . .
 H19B H 0.596708 0.396012 0.136861 0.167 Uiso 1 1 calc R U . . .
 H19C H 0.623329 0.391187 0.157539 0.167 Uiso 1 1 calc R U . . .
 C48 C 0.6046(3) 0.3170(3) -0.1620(3) 0.147(4) Uani 1 1 d . . . . .
 H48 H 0.618834 0.322346 -0.175154 0.177 Uiso 1 1 calc R U . . .
 C1 C 0.7126(2) 0.5951(3) 0.1326(2) 0.132(3) Uani 1 1 d . . . . .
 H1 H 0.708306 0.606547 0.148621 0.158 Uiso 1 1 calc R U . . .
 C47 C 0.6079(3) 0.3241(2) -0.1344(3) 0.142(4) Uani 1 1 d . . . . .
 H47 H 0.623526 0.335540 -0.128744 0.170 Uiso 1 1 calc R U . . .
 Na2 Na 0.63329(10) 0.37415(10) 0.06578(9) 0.1447(12) Uani 1 1 d D . . . .
 C24 C 0.5857(7) 0.4024(8) 0.0264(5) 0.221(13) Uani 0.5 1 d D U P E -1
 H24A H 0.572847 0.418614 0.024884 0.332 Uiso 0.5 1 calc R U P E -1
 H24B H 0.598669 0.402278 0.010174 0.332 Uiso 0.5 1 calc R U P E -1
 H24C H 0.574697 0.384796 0.026599 0.332 Uiso 0.5 1 calc R U P E -1
 C120 C 0.6003(5) 0.4330(3) 0.0599(6) 0.201(8) Uani 0.5 1 d D U P E -2
 H12A H 0.584132 0.442339 0.050768 0.301 Uiso 0.5 1 calc R U P E -2
 H12B H 0.598059 0.434074 0.080564 0.301 Uiso 0.5 1 calc R U P E -2
 H12C H 0.617851 0.442578 0.054372 0.301 Uiso 0.5 1 calc R U P E -2
 C121 C 0.6953(4) 0.3370(9) 0.0925(8) 0.230(9) Uani 0.5 1 d D U P F -1
 H12D H 0.698136 0.316878 0.096807 0.345 Uiso 0.5 1 calc R U P F -1
 H12E H 0.708872 0.342899 0.077895 0.345 Uiso 0.5 1 calc R U P F -1
 H12F H 0.698377 0.348245 0.109696 0.345 Uiso 0.5 1 calc R U P F -1
 C122 C 0.6775(8) 0.3141(5) 0.0744(8) 0.251(10) Uani 0.5 1 d D U P F -2
 H12G H 0.692205 0.307910 0.087641 0.376 Uiso 0.5 1 calc R U P F -2
 H12H H 0.661768 0.300520 0.074638 0.376 Uiso 0.5 1 calc R U P F -2
 H12I H 0.685412 0.315135 0.055210 0.376 Uiso 0.5 1 calc R U P F -2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Rh4 O5 2.100(7) . ?
 Rh4 N3 2.104(9) 13_665 ?
 Rh4 O6 2.172(8) . ?
 Rh4 C88 2.162(11) . ?
 Rh4 C91 2.139(12) . ?
 Rh4 C92 2.122(12) . ?
 Rh4 C90 2.153(12) . ?
 Rh4 C89 2.127(14) . ?
 Rh1 O1 2.142(9) . ?
 Rh1 O2 2.051(8) . ?
 Rh1 C80 2.178(5) . ?
 Rh1 C81 2.159(5) . ?
 Rh1 C82 2.139(5) . ?
 Rh1 C78 2.145(5) . ?
 Rh1 C79 2.170(4) . ?
 Rh1 N1 2.093(11) . ?
 Rh2 N2 2.104(9) . ?
 Rh2 O11 2.091(8) . ?
 Rh2 O12 2.178(9) . ?
 Rh2 C102 2.141(5) . ?
 Rh2 C101 2.141(6) . ?
 Rh2 C100 2.129(6) . ?
 Rh2 C99 2.120(6) . ?
 Rh2 C98 2.128(6) . ?
 Rh3 O7 2.162(10) . ?
 Rh3 O8 2.097(8) . ?
 Rh3 N4 2.107(9) 13_665 ?
 Rh3 C110 2.151(6) . ?
 Rh3 C109 2.096(6) . ?
 Rh3 C108 2.088(6) . ?
 Rh3 C112 2.138(6) . ?
 Rh3 C111 2.177(6) . ?
 S1 O26 1.456(8) . ?
 S1 O25 1.424(8) . ?
 S1 O24 1.456(9) . ?
 S1 C118 1.772(17) . ?
 S2 O21 1.451(9) . ?
 S2 O23 1.431(8) . ?
 S2 O22 1.474(11) . ?
 S2 C119 1.709(17) . ?
 O18 C18 1.367(11) . ?
 O18 C19 1.441(11) . ?
 O18 Na2 2.698(8) . ?
 O13 C28 1.466(12) . ?
 O13 C29 1.374(11) . ?
 O13 Na2 2.725(7) . ?
 N8 C56 1.325(14) . ?
 N8 C57 1.347(13) . ?
 N8 O5 1.368(11) . ?
 O1 C51 1.211(14) . ?
 O17 C21 1.423(12) . ?
 O17 C20 1.415(11) . ?
 O17 Na2 2.676(7) . ?
 C58 C57 1.550(15) . ?
 C58 C64 1.391(15) . ?
 C58 C59 1.354(15) . ?
 C39 C43 1.387(13) . ?
 C39 C40 1.381(14) . ?
 C39 C38 1.476(14) . ?
 C11 H11 0.9500 . ?
 C11 C10 1.318(12) . ?
 C11 C12 1.432(14) . ?
 C37 H37 0.9500 . ?
 C37 C33 1.375(13) . ?
 C37 C38 1.329(13) . ?
 O2 N7 1.360(11) . ?
 C56 C55 1.455(14) . ?
 C56 O6 1.240(13) . ?
 O3 C62 1.243(14) . ?
 O14 C26 1.402(13) . ?
 O14 C27 1.428(12) . ?
 O14 Na2 2.681(8) . ?
 O16 C31 1.379(12) . ?
 O16 C22 1.409(11) . ?
 O16 Na2 2.699(8) . ?
 C18 C29 1.404(13) . ?
 C18 C17 1.360(13) . ?
 C32 H32 0.9500 . ?
 C32 C33 1.410(12) . ?
 C32 C31 1.432(14) . ?
 N7 C51 1.347(16) . ?
 N7 C62 1.414(16) . ?
 C57 O4 1.218(12) . ?
 O15 C36 1.387(12) . ?
 O15 C25 1.388(12) . ?
 O15 Na2 2.703(8) . ?
 C33 C34 1.453(13) . ?
 C10 H10 0.9500 . ?
 C10 C9 1.466(13) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.442(14) . ?
 C45 C44 1.284(13) . ?
 C51 C52 1.520(18) . ?
 C28 H28A 0.9900 . ?
 C28 H28B 0.9900 . ?
 C28 C27 1.472(15) . ?
 C14 H14 0.9500 . ?
 C14 N2 1.378(14) . ?
 C14 C13 1.327(15) . ?
 C55 C64 1.413(15) . ?
 C55 C54 1.359(16) . ?
 N3 C42 1.395(13) . ?
 N3 C41 1.332(13) . ?
 C60 H60 0.9500 . ?
 C60 C59 1.440(14) . ?
 C60 C61 1.369(15) . ?
 C64 C63 1.417(16) . ?
 N2 C15 1.288(11) . ?
 C43 H43 0.9500 . ?
 C43 C42 1.345(13) . ?
 C40 H40 0.9500 . ?
 C40 C41 1.392(15) . ?
 C34 C35 1.390(13) . ?
 C34 C44 1.466(14) . ?
 O10 C65 1.249(19) . ?
 C73 H73 0.9500 . ?
 C73 C72 1.355(17) . ?
 C73 C74 1.305(17) . ?
 O7 C71 1.332(15) . ?
 C63 C52 1.395(16) . ?
 C63 C61 1.383(15) . ?
 C8 C9 1.361(12) . ?
 C8 C7 1.459(13) . ?
 C8 C30 1.431(13) . ?
 C46 C50 1.458(14) . ?
 C46 C47 1.405(14) . ?
 C36 C35 1.341(14) . ?
 C36 C31 1.367(14) . ?
 C9 C17 1.430(13) . ?
 C29 C30 1.321(13) . ?
 O11 N5 1.361(13) . ?
 C75 C23 1.453(18) . ?
 C75 C76 1.399(17) . ?
 C75 C74 1.498(18) . ?
 C35 H35 0.9500 . ?
 C12 C16 1.405(14) . ?
 C12 C13 1.406(14) . ?
 F6 C119 1.322(16) . ?
 O12 C23 1.207(15) . ?
 N6 O8 1.294(14) . ?
 N6 C71 1.357(17) . ?
 N6 C70 1.482(19) . ?
 C102 C101 1.4200 . ?
 C102 C98 1.4200 . ?
 C102 C107 1.5095 . ?
 C101 C100 1.4200 . ?
 C101 C106 1.5095 . ?
 C100 C99 1.4200 . ?
 C100 C105 1.5095 . ?
 C99 C98 1.4200 . ?
 C99 C104 1.5095 . ?
 C98 C103 1.5095 . ?
 C107 H10A 0.9800 . ?
 C107 H10B 0.9800 . ?
 C107 H10C 0.9800 . ?
 C106 H10D 0.9800 . ?
 C106 H10E 0.9800 . ?
 C106 H10F 0.9800 . ?
 C105 H10G 0.9800 . ?
 C105 H10H 0.9800 . ?
 C105 H10I 0.9800 . ?
 C104 H10J 0.9800 . ?
 C104 H10K 0.9800 . ?
 C104 H10L 0.9800 . ?
 C103 H10M 0.9800 . ?
 C103 H10N 0.9800 . ?
 C103 H10O 0.9800 . ?
 C42 H42 0.9500 . ?
 C21 H21A 0.9900 . ?
 C21 H21B 0.9900 . ?
 C21 C22 1.544(15) . ?
 N5 C23 1.370(16) . ?
 N5 C65 1.426(16) . ?
 C80 C81 1.4200 . ?
 C80 C79 1.4200 . ?
 C80 C85 1.5095 . ?
 C81 C82 1.4200 . ?
 C81 C86 1.5095 . ?
 C82 C78 1.4200 . ?
 C82 C87 1.5095 . ?
 C78 C79 1.4200 . ?
 C78 C83 1.5094 . ?
 C79 C84 1.5095 . ?
 C85 H85A 0.9800 . ?
 C85 H85B 0.9800 . ?
 C85 H85C 0.9800 . ?
 C86 H86A 0.9800 . ?
 C86 H86B 0.9800 . ?
 C86 H86C 0.9800 . ?
 C87 H87A 0.9800 . ?
 C87 H87B 0.9800 . ?
 C87 H87C 0.9800 . ?
 C83 H83A 0.9800 . ?
 C83 H83B 0.9800 . ?
 C83 H83C 0.9800 . ?
 C84 H84A 0.9800 . ?
 C84 H84B 0.9800 . ?
 C84 H84C 0.9800 . ?
 C68 H68 0.9500 . ?
 C68 C67 1.389(19) . ?
 C68 C69 1.385(19) . ?
 C53 H53 0.9500 . ?
 C53 C52 1.398(16) . ?
 C53 C54 1.386(17) . ?
 C16 H16 0.9500 . ?
 C16 C15 1.320(13) . ?
 C13 H13 0.9500 . ?
 C7 H7 0.9500 . ?
 C7 C6 1.276(12) . ?
 F5 C119 1.393(16) . ?
 F1 C118 1.351(19) . ?
 C71 C72 1.377(18) . ?
 N4 C49 1.245(13) . ?
 N4 C48 1.390(14) . ?
 O9 C70 1.229(16) . ?
 C59 H59 0.9500 . ?
 C88 C92 1.446(19) . ?
 C88 C93 1.52(2) . ?
 C88 C89 1.42(2) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.371(14) . ?
 C26 H26A 0.9900 . ?
 C26 H26B 0.9900 . ?
 C26 C25 1.515(15) . ?
 C27 H27A 0.9900 . ?
 C27 H27B 0.9900 . ?
 C2 H2 0.9500 . ?
 C2 C3 1.339(15) . ?
 C2 C1 1.386(15) . ?
 C6 H6 0.9500 . ?
 C6 C3 1.466(14) . ?
 C38 H38 0.9500 . ?
 C66 C67 1.329(18) . ?
 C66 C65 1.44(2) . ?
 C66 C76 1.465(17) . ?
 C67 H67 0.9500 . ?
 C54 H54 0.9500 . ?
 C44 H44 0.9500 . ?
 C110 C109 1.4200 . ?
 C110 C111 1.4200 . ?
 C110 C115 1.5095 . ?
 C109 C108 1.4200 . ?
 C109 C114 1.5095 . ?
 C108 C112 1.4200 . ?
 C108 C113 1.5095 . ?
 C112 C111 1.4200 . ?
 C112 C117 1.5095 . ?
 C111 C116 1.5095 . ?
 C115 H11A 0.9800 . ?
 C115 H11B 0.9800 . ?
 C115 H11C 0.9800 . ?
 C114 H11D 0.9800 . ?
 C114 H11E 0.9800 . ?
 C114 H11F 0.9800 . ?
 C113 H11G 0.9800 . ?
 C113 H11H 0.9800 . ?
 C113 H11I 0.9800 . ?
 C117 H11J 0.9800 . ?
 C117 H11K 0.9800 . ?
 C117 H11L 0.9800 . ?
 C116 H11M 0.9800 . ?
 C116 H11N 0.9800 . ?
 C116 H11O 0.9800 . ?
 C91 C92 1.500(19) . ?
 C91 C96 1.432(18) . ?
 C91 C90 1.460(18) . ?
 C92 C97 1.497(19) . ?
 C50 H50 0.9500 . ?
 C5 H5 0.9500 . ?
 C5 N1 1.345(15) . ?
 C5 C4 1.340(16) . ?
 F3 C118 1.310(16) . ?
 C77 C72 1.449(19) . ?
 C77 C76 1.376(17) . ?
 C77 C69 1.334(18) . ?
 C118 F2 1.275(17) . ?
 C94 H94A 0.9800 . ?
 C94 H94B 0.9800 . ?
 C94 H94C 0.9800 . ?
 C94 C89 1.46(2) . ?
 C62 C61 1.485(17) . ?
 C69 C70 1.44(2) . ?
 C41 H41 0.9500 . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C20 C19 1.485(14) . ?
 C3 C4 1.440(15) . ?
 C96 H96A 0.9800 . ?
 C96 H96B 0.9800 . ?
 C96 H96C 0.9800 . ?
 C93 H93A 0.9800 . ?
 C93 H93B 0.9800 . ?
 C93 H93C 0.9800 . ?
 C90 C95 1.534(18) . ?
 C90 C89 1.398(19) . ?
 C74 H74 0.9500 . ?
 C25 H25A 0.9900 . ?
 C25 H25B 0.9900 . ?
 C22 H22A 0.9900 . ?
 C22 H22B 0.9900 . ?
 F4 C119 1.415(15) . ?
 C95 H95A 0.9800 . ?
 C95 H95B 0.9800 . ?
 C95 H95C 0.9800 . ?
 C97 H97A 0.9800 . ?
 C97 H97B 0.9800 . ?
 C97 H97C 0.9800 . ?
 O19 H19A 0.875(10) . ?
 O19 H19 0.874(10) . ?
 O19 Na2 2.370(11) . ?
 O19 C121 1.415(10) . ?
 O19 C122 1.423(10) . ?
 N1 C1 1.327(13) . ?
 C4 H4 0.9500 . ?
 C15 H15 0.9500 . ?
 O20 H20C 0.882(10) . ?
 O20 H20 0.880(10) . ?
 O20 Na2 2.185(10) . ?
 O20 C24 1.400(10) . ?
 O20 C120 1.404(9) . ?
 C17 H17 0.9500 . ?
 C30 H30 0.9500 . ?
 C19 H19B 0.9900 . ?
 C19 H19C 0.9900 . ?
 C48 H48 0.9500 . ?
 C48 C47 1.355(15) . ?
 C1 H1 0.9500 . ?
 C47 H47 0.9500 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C120 H12A 0.9800 . ?
 C120 H12B 0.9800 . ?
 C120 H12C 0.9800 . ?
 C121 H12D 0.9800 . ?
 C121 H12E 0.9800 . ?
 C121 H12F 0.9800 . ?
 C122 H12G 0.9800 . ?
 C122 H12H 0.9800 . ?
 C122 H12I 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O5 Rh4 N3 85.5(4) . 13_665 ?
 O5 Rh4 O6 76.1(3) . . ?
 O5 Rh4 C88 123.6(6) . . ?
 O5 Rh4 C91 103.3(5) . . ?
 O5 Rh4 C92 95.1(5) . . ?
 O5 Rh4 C90 140.4(5) . . ?
 O5 Rh4 C89 161.6(5) . . ?
 N3 Rh4 O6 86.8(3) 13_665 . ?
 N3 Rh4 C88 150.8(6) 13_665 . ?
 N3 Rh4 C91 112.0(4) 13_665 . ?
 N3 Rh4 C92 152.7(5) 13_665 . ?
 N3 Rh4 C90 95.8(4) 13_665 . ?
 N3 Rh4 C89 112.4(6) 13_665 . ?
 C88 Rh4 O6 97.8(5) . . ?
 C91 Rh4 O6 161.1(4) . . ?
 C91 Rh4 C88 66.5(5) . . ?
 C91 Rh4 C90 39.8(5) . . ?
 C92 Rh4 O6 119.9(5) . . ?
 C92 Rh4 C88 39.4(5) . . ?
 C92 Rh4 C91 41.2(5) . . ?
 C92 Rh4 C90 66.6(6) . . ?
 C92 Rh4 C89 67.1(6) . . ?
 C90 Rh4 O6 143.5(5) . . ?
 C90 Rh4 C88 63.8(5) . . ?
 C89 Rh4 O6 107.8(6) . . ?
 C89 Rh4 C88 38.8(5) . . ?
 C89 Rh4 C91 67.0(6) . . ?
 C89 Rh4 C90 38.1(5) . . ?
 O1 Rh1 C80 96.5(3) . . ?
 O1 Rh1 C81 120.0(3) . . ?
 O1 Rh1 C78 143.2(3) . . ?
 O1 Rh1 C79 107.2(3) . . ?
 O2 Rh1 O1 75.2(3) . . ?
 O2 Rh1 C80 123.0(3) . . ?
 O2 Rh1 C81 97.7(3) . . ?
 O2 Rh1 C82 106.1(3) . . ?
 O2 Rh1 C78 141.6(3) . . ?
 O2 Rh1 C79 160.6(3) . . ?
 O2 Rh1 N1 86.0(4) . . ?
 C81 Rh1 C80 38.22(8) . . ?
 C81 Rh1 C79 64.11(10) . . ?
 C82 Rh1 O1 158.4(3) . . ?
 C82 Rh1 C80 64.30(10) . . ?
 C82 Rh1 C81 38.58(8) . . ?
 C82 Rh1 C78 38.71(8) . . ?
 C82 Rh1 C79 64.45(10) . . ?
 C78 Rh1 C80 64.20(10) . . ?
 C78 Rh1 C81 64.52(10) . . ?
 C78 Rh1 C79 38.42(7) . . ?
 C79 Rh1 C80 38.12(7) . . ?
 N1 Rh1 O1 87.7(3) . . ?
 N1 Rh1 C80 150.9(4) . . ?
 N1 Rh1 C81 152.2(3) . . ?
 N1 Rh1 C82 113.9(3) . . ?
 N1 Rh1 C78 95.7(3) . . ?
 N1 Rh1 C79 113.2(3) . . ?
 N2 Rh2 O12 85.8(4) . . ?
 N2 Rh2 C102 113.1(3) . . ?
 N2 Rh2 C101 151.3(3) . . ?
 N2 Rh2 C100 152.5(4) . . ?
 N2 Rh2 C99 113.8(3) . . ?
 N2 Rh2 C98 95.6(3) . . ?
 O11 Rh2 N2 87.0(3) . . ?
 O11 Rh2 O12 77.1(4) . . ?
 O11 Rh2 C102 159.7(3) . . ?
 O11 Rh2 C101 121.5(3) . . ?
 O11 Rh2 C100 96.0(3) . . ?
 O11 Rh2 C99 105.3(3) . . ?
 O11 Rh2 C98 141.4(4) . . ?
 C102 Rh2 O12 105.7(3) . . ?
 C102 Rh2 C101 38.73(9) . . ?
 C101 Rh2 O12 96.4(3) . . ?
 C100 Rh2 O12 121.5(3) . . ?
 C100 Rh2 C102 65.11(13) . . ?
 C100 Rh2 C101 38.85(10) . . ?
 C99 Rh2 O12 160.2(3) . . ?
 C99 Rh2 C102 65.25(13) . . ?
 C99 Rh2 C101 65.24(13) . . ?
 C99 Rh2 C100 39.05(9) . . ?
 C99 Rh2 C98 39.05(10) . . ?
 C98 Rh2 O12 141.4(3) . . ?
 C98 Rh2 C102 38.85(9) . . ?
 C98 Rh2 C101 65.11(12) . . ?
 C98 Rh2 C100 65.33(13) . . ?
 O7 Rh3 C111 145.4(3) . . ?
 O8 Rh3 O7 74.8(4) . . ?
 O8 Rh3 N4 86.9(4) . 13_665 ?
 O8 Rh3 C110 104.3(3) . . ?
 O8 Rh3 C112 159.9(3) . . ?
 O8 Rh3 C111 139.7(4) . . ?
 N4 Rh3 O7 86.4(3) 13_665 . ?
 N4 Rh3 C110 114.6(3) 13_665 . ?
 N4 Rh3 C112 112.8(4) 13_665 . ?
 N4 Rh3 C111 96.6(3) 13_665 . ?
 C110 Rh3 O7 159.0(3) . . ?
 C110 Rh3 C111 38.31(10) . . ?
 C109 Rh3 O7 120.0(3) . . ?
 C109 Rh3 O8 95.0(3) . . ?
 C109 Rh3 N4 153.1(4) . 13_665 ?
 C109 Rh3 C110 39.05(10) . . ?
 C109 Rh3 C112 65.72(12) . . ?
 C109 Rh3 C111 65.04(13) . . ?
 C108 Rh3 O7 96.6(3) . . ?
 C108 Rh3 O8 121.7(3) . . ?
 C108 Rh3 N4 151.1(4) . 13_665 ?
 C108 Rh3 C110 65.63(12) . . ?
 C108 Rh3 C109 39.68(10) . . ?
 C108 Rh3 C112 39.24(10) . . ?
 C108 Rh3 C111 65.16(13) . . ?
 C112 Rh3 O7 109.1(3) . . ?
 C112 Rh3 C110 64.78(13) . . ?
 C112 Rh3 C111 38.41(10) . . ?
 O26 S1 O24 114.4(5) . . ?
 O26 S1 C118 102.0(8) . . ?
 O25 S1 O26 115.6(4) . . ?
 O25 S1 O24 112.9(5) . . ?
 O25 S1 C118 107.1(7) . . ?
 O24 S1 C118 103.1(9) . . ?
 O21 S2 O22 112.4(7) . . ?
 O21 S2 C119 105.6(7) . . ?
 O23 S2 O21 117.9(6) . . ?
 O23 S2 O22 111.4(6) . . ?
 O23 S2 C119 105.1(6) . . ?
 O22 S2 C119 102.8(7) . . ?
 C18 O18 C19 117.7(8) . . ?
 C18 O18 Na2 120.9(6) . . ?
 C19 O18 Na2 116.3(5) . . ?
 C28 O13 Na2 118.2(5) . . ?
 C29 O13 C28 115.6(8) . . ?
 C29 O13 Na2 120.8(6) . . ?
 C56 N8 C57 126.4(12) . . ?
 C56 N8 O5 118.1(10) . . ?
 C57 N8 O5 115.5(10) . . ?
 C51 O1 Rh1 113.6(9) . . ?
 C21 O17 Na2 106.9(6) . . ?
 C20 O17 C21 110.3(8) . . ?
 C20 O17 Na2 109.2(6) . . ?
 C64 C58 C57 113.9(13) . . ?
 C59 C58 C57 119.8(11) . . ?
 C59 C58 C64 126.3(12) . . ?
 C43 C39 C38 123.8(10) . . ?
 C40 C39 C43 115.8(10) . . ?
 C40 C39 C38 120.3(11) . . ?
 C10 C11 H11 116.7 . . ?
 C10 C11 C12 126.6(9) . . ?
 C12 C11 H11 116.7 . . ?
 C33 C37 H37 115.1 . . ?
 C38 C37 H37 115.1 . . ?
 C38 C37 C33 129.8(9) . . ?
 N7 O2 Rh1 111.3(7) . . ?
 N8 C56 C55 118.8(13) . . ?
 O6 C56 N8 122.1(11) . . ?
 O6 C56 C55 118.7(12) . . ?
 C26 O14 C27 113.2(8) . . ?
 C26 O14 Na2 108.8(6) . . ?
 C27 O14 Na2 110.5(6) . . ?
 C31 O16 C22 115.3(8) . . ?
 C31 O16 Na2 120.2(6) . . ?
 C22 O16 Na2 120.1(6) . . ?
 O18 C18 C29 115.2(10) . . ?
 C17 C18 O18 125.0(9) . . ?
 C17 C18 C29 119.8(9) . . ?
 C33 C32 H32 120.4 . . ?
 C33 C32 C31 119.2(9) . . ?
 C31 C32 H32 120.4 . . ?
 O2 N7 C62 115.0(12) . . ?
 C51 N7 O2 117.6(11) . . ?
 C51 N7 C62 127.3(12) . . ?
 N8 C57 C58 118.4(12) . . ?
 O4 C57 N8 122.4(11) . . ?
 O4 C57 C58 119.2(12) . . ?
 C36 O15 C25 119.8(8) . . ?
 C36 O15 Na2 120.3(6) . . ?
 C25 O15 Na2 117.5(6) . . ?
 C37 C33 C32 118.2(9) . . ?
 C37 C33 C34 122.7(9) . . ?
 C32 C33 C34 119.1(9) . . ?
 C11 C10 H10 114.7 . . ?
 C11 C10 C9 130.6(9) . . ?
 C9 C10 H10 114.7 . . ?
 C46 C45 H45 115.9 . . ?
 C44 C45 H45 115.9 . . ?
 C44 C45 C46 128.3(10) . . ?
 O1 C51 N7 118.5(14) . . ?
 O1 C51 C52 125.4(16) . . ?
 N7 C51 C52 116.0(14) . . ?
 O13 C28 H28A 110.6 . . ?
 O13 C28 H28B 110.6 . . ?
 O13 C28 C27 105.6(9) . . ?
 H28A C28 H28B 108.8 . . ?
 C27 C28 H28A 110.6 . . ?
 C27 C28 H28B 110.6 . . ?
 N8 O5 Rh4 109.9(6) . . ?
 N2 C14 H14 119.0 . . ?
 C13 C14 H14 119.0 . . ?
 C13 C14 N2 121.9(11) . . ?
 C64 C55 C56 117.9(12) . . ?
 C54 C55 C56 123.0(13) . . ?
 C54 C55 C64 119.1(12) . . ?
 C42 N3 Rh4 121.7(7) . 13_665 ?
 C41 N3 Rh4 121.6(9) . 13_665 ?
 C41 N3 C42 116.6(9) . . ?
 C59 C60 H60 119.8 . . ?
 C61 C60 H60 119.8 . . ?
 C61 C60 C59 120.3(11) . . ?
 C56 O6 Rh4 110.7(7) . . ?
 C58 C64 C55 124.6(13) . . ?
 C58 C64 C63 115.6(13) . . ?
 C63 C64 C55 119.8(12) . . ?
 C14 N2 Rh2 121.1(8) . . ?
 C15 N2 Rh2 122.9(8) . . ?
 C15 N2 C14 115.6(9) . . ?
 C39 C43 H43 119.6 . . ?
 C42 C43 C39 120.7(11) . . ?
 C42 C43 H43 119.6 . . ?
 C39 C40 H40 118.8 . . ?
 C39 C40 C41 122.4(11) . . ?
 C41 C40 H40 118.8 . . ?
 C33 C34 C44 122.8(10) . . ?
 C35 C34 C33 116.8(9) . . ?
 C35 C34 C44 120.3(10) . . ?
 C72 C73 H73 118.7 . . ?
 C74 C73 H73 118.7 . . ?
 C74 C73 C72 122.6(15) . . ?
 C71 O7 Rh3 113.1(10) . . ?
 C52 C63 C64 117.3(13) . . ?
 C61 C63 C64 120.8(11) . . ?
 C61 C63 C52 121.9(13) . . ?
 C9 C8 C7 123.8(10) . . ?
 C9 C8 C30 119.2(10) . . ?
 C30 C8 C7 117.0(9) . . ?
 C45 C46 C50 121.3(10) . . ?
 C47 C46 C45 121.9(10) . . ?
 C47 C46 C50 116.3(9) . . ?
 C35 C36 O15 124.1(10) . . ?
 C35 C36 C31 120.0(12) . . ?
 C31 C36 O15 115.8(10) . . ?
 C8 C9 C10 124.3(10) . . ?
 C8 C9 C17 118.5(10) . . ?
 C17 C9 C10 117.2(9) . . ?
 O13 C29 C18 113.3(9) . . ?
 C30 C29 O13 126.7(10) . . ?
 C30 C29 C18 120.0(10) . . ?
 N5 O11 Rh2 111.2(7) . . ?
 C23 C75 C74 123.1(14) . . ?
 C76 C75 C23 124.4(14) . . ?
 C76 C75 C74 112.3(14) . . ?
 C34 C35 H35 117.8 . . ?
 C36 C35 C34 124.5(11) . . ?
 C36 C35 H35 117.8 . . ?
 C16 C12 C11 127.1(10) . . ?
 C13 C12 C11 120.1(10) . . ?
 C13 C12 C16 112.7(10) . . ?
 C23 O12 Rh2 108.5(10) . . ?
 O8 N6 C71 124.8(15) . . ?
 O8 N6 C70 119.7(14) . . ?
 C71 N6 C70 115.2(16) . . ?
 C101 C102 Rh2 70.6(2) . . ?
 C101 C102 C107 126.0 . . ?
 C98 C102 Rh2 70.1(2) . . ?
 C98 C102 C101 108.0 . . ?
 C98 C102 C107 126.0 . . ?
 C107 C102 Rh2 124.87(18) . . ?
 C102 C101 Rh2 70.63(19) . . ?
 C102 C101 C100 108.0 . . ?
 C102 C101 C106 126.0 . . ?
 C100 C101 Rh2 70.09(19) . . ?
 C100 C101 C106 126.0 . . ?
 C106 C101 Rh2 124.88(19) . . ?
 C101 C100 Rh2 71.1(2) . . ?
 C101 C100 C99 108.0 . . ?
 C101 C100 C105 126.0 . . ?
 C99 C100 Rh2 70.2(2) . . ?
 C99 C100 C105 126.0 . . ?
 C105 C100 Rh2 124.38(17) . . ?
 C100 C99 Rh2 70.8(2) . . ?
 C100 C99 C104 126.0 . . ?
 C98 C99 Rh2 70.77(19) . . ?
 C98 C99 C100 108.0 . . ?
 C98 C99 C104 126.0 . . ?
 C104 C99 Rh2 124.06(18) . . ?
 C102 C98 Rh2 71.1(2) . . ?
 C102 C98 C99 108.0 . . ?
 C102 C98 C103 126.0 . . ?
 C99 C98 Rh2 70.18(19) . . ?
 C99 C98 C103 126.0 . . ?
 C103 C98 Rh2 124.37(19) . . ?
 C102 C107 H10A 109.5 . . ?
 C102 C107 H10B 109.5 . . ?
 C102 C107 H10C 109.5 . . ?
 H10A C107 H10B 109.5 . . ?
 H10A C107 H10C 109.5 . . ?
 H10B C107 H10C 109.5 . . ?
 C101 C106 H10D 109.5 . . ?
 C101 C106 H10E 109.5 . . ?
 C101 C106 H10F 109.5 . . ?
 H10D C106 H10E 109.5 . . ?
 H10D C106 H10F 109.5 . . ?
 H10E C106 H10F 109.5 . . ?
 C100 C105 H10G 109.5 . . ?
 C100 C105 H10H 109.5 . . ?
 C100 C105 H10I 109.5 . . ?
 H10G C105 H10H 109.5 . . ?
 H10G C105 H10I 109.5 . . ?
 H10H C105 H10I 109.5 . . ?
 C99 C104 H10J 109.5 . . ?
 C99 C104 H10K 109.5 . . ?
 C99 C104 H10L 109.5 . . ?
 H10J C104 H10K 109.5 . . ?
 H10J C104 H10L 109.5 . . ?
 H10K C104 H10L 109.5 . . ?
 C98 C103 H10M 109.5 . . ?
 C98 C103 H10N 109.5 . . ?
 C98 C103 H10O 109.5 . . ?
 H10M C103 H10N 109.5 . . ?
 H10M C103 H10O 109.5 . . ?
 H10N C103 H10O 109.5 . . ?
 N6 O8 Rh3 110.3(9) . . ?
 N3 C42 H42 118.4 . . ?
 C43 C42 N3 123.3(11) . . ?
 C43 C42 H42 118.4 . . ?
 O17 C21 H21A 109.9 . . ?
 O17 C21 H21B 109.9 . . ?
 O17 C21 C22 109.1(9) . . ?
 H21A C21 H21B 108.3 . . ?
 C22 C21 H21A 109.9 . . ?
 C22 C21 H21B 109.9 . . ?
 O11 N5 C23 114.7(12) . . ?
 O11 N5 C65 118.4(14) . . ?
 C23 N5 C65 126.9(16) . . ?
 C81 C80 Rh1 70.17(16) . . ?
 C81 C80 C85 126.0 . . ?
 C79 C80 Rh1 70.62(16) . . ?
 C79 C80 C81 108.0 . . ?
 C79 C80 C85 126.0 . . ?
 C85 C80 Rh1 124.82(16) . . ?
 C80 C81 Rh1 71.62(17) . . ?
 C80 C81 C86 126.0 . . ?
 C82 C81 Rh1 69.93(18) . . ?
 C82 C81 C80 108.0 . . ?
 C82 C81 C86 126.0 . . ?
 C86 C81 Rh1 124.07(15) . . ?
 C81 C82 Rh1 71.49(18) . . ?
 C81 C82 C78 108.0 . . ?
 C81 C82 C87 126.0 . . ?
 C78 C82 Rh1 70.89(17) . . ?
 C78 C82 C87 126.0 . . ?
 C87 C82 Rh1 123.27(15) . . ?
 C82 C78 Rh1 70.39(16) . . ?
 C82 C78 C83 126.0 . . ?
 C79 C78 Rh1 71.72(17) . . ?
 C79 C78 C82 108.0 . . ?
 C79 C78 C83 126.0 . . ?
 C83 C78 Rh1 123.53(16) . . ?
 C80 C79 Rh1 71.26(17) . . ?
 C80 C79 C78 108.0 . . ?
 C80 C79 C84 126.0 . . ?
 C78 C79 Rh1 69.86(18) . . ?
 C78 C79 C84 126.0 . . ?
 C84 C79 Rh1 124.48(15) . . ?
 C80 C85 H85A 109.5 . . ?
 C80 C85 H85B 109.5 . . ?
 C80 C85 H85C 109.5 . . ?
 H85A C85 H85B 109.5 . . ?
 H85A C85 H85C 109.5 . . ?
 H85B C85 H85C 109.5 . . ?
 C81 C86 H86A 109.5 . . ?
 C81 C86 H86B 109.5 . . ?
 C81 C86 H86C 109.5 . . ?
 H86A C86 H86B 109.5 . . ?
 H86A C86 H86C 109.5 . . ?
 H86B C86 H86C 109.5 . . ?
 C82 C87 H87A 109.5 . . ?
 C82 C87 H87B 109.5 . . ?
 C82 C87 H87C 109.5 . . ?
 H87A C87 H87B 109.5 . . ?
 H87A C87 H87C 109.5 . . ?
 H87B C87 H87C 109.5 . . ?
 C78 C83 H83A 109.5 . . ?
 C78 C83 H83B 109.5 . . ?
 C78 C83 H83C 109.5 . . ?
 H83A C83 H83B 109.5 . . ?
 H83A C83 H83C 109.5 . . ?
 H83B C83 H83C 109.5 . . ?
 C79 C84 H84A 109.5 . . ?
 C79 C84 H84B 109.5 . . ?
 C79 C84 H84C 109.5 . . ?
 H84A C84 H84B 109.5 . . ?
 H84A C84 H84C 109.5 . . ?
 H84B C84 H84C 109.5 . . ?
 O16 C31 C32 124.2(10) . . ?
 C36 C31 O16 115.1(10) . . ?
 C36 C31 C32 120.3(11) . . ?
 C67 C68 H68 120.4 . . ?
 C67 C68 C69 119.3(15) . . ?
 C69 C68 H68 120.4 . . ?
 C52 C53 H53 122.0 . . ?
 C54 C53 H53 122.0 . . ?
 C54 C53 C52 116.0(12) . . ?
 C12 C16 H16 119.4 . . ?
 C15 C16 C12 121.3(10) . . ?
 C15 C16 H16 119.4 . . ?
 C14 C13 C12 122.3(11) . . ?
 C14 C13 H13 118.8 . . ?
 C12 C13 H13 118.8 . . ?
 C8 C7 H7 114.1 . . ?
 C6 C7 C8 131.8(10) . . ?
 C6 C7 H7 114.1 . . ?
 O12 C23 C75 119.5(14) . . ?
 O12 C23 N5 126.1(16) . . ?
 N5 C23 C75 114.2(14) . . ?
 O7 C71 N6 111.4(17) . . ?
 O7 C71 C72 120.4(16) . . ?
 N6 C71 C72 128.2(16) . . ?
 C49 N4 Rh3 124.3(9) . 13_665 ?
 C49 N4 C48 115.8(10) . . ?
 C48 N4 Rh3 119.5(9) . 13_665 ?
 C58 C59 C60 116.0(10) . . ?
 C58 C59 H59 122.0 . . ?
 C60 C59 H59 122.0 . . ?
 C92 C88 Rh4 68.8(7) . . ?
 C92 C88 C93 120.6(17) . . ?
 C93 C88 Rh4 120.8(11) . . ?
 C89 C88 Rh4 69.3(7) . . ?
 C89 C88 C92 109.9(14) . . ?
 C89 C88 C93 128.9(18) . . ?
 N4 C49 H49 115.2 . . ?
 N4 C49 C50 129.6(12) . . ?
 C50 C49 H49 115.2 . . ?
 O14 C26 H26A 109.6 . . ?
 O14 C26 H26B 109.6 . . ?
 O14 C26 C25 110.1(9) . . ?
 H26A C26 H26B 108.2 . . ?
 C25 C26 H26A 109.6 . . ?
 C25 C26 H26B 109.6 . . ?
 O14 C27 C28 111.8(9) . . ?
 O14 C27 H27A 109.3 . . ?
 O14 C27 H27B 109.3 . . ?
 C28 C27 H27A 109.3 . . ?
 C28 C27 H27B 109.3 . . ?
 H27A C27 H27B 107.9 . . ?
 C3 C2 H2 117.6 . . ?
 C3 C2 C1 124.7(12) . . ?
 C1 C2 H2 117.6 . . ?
 C63 C52 C51 119.0(14) . . ?
 C63 C52 C53 123.7(13) . . ?
 C53 C52 C51 117.3(15) . . ?
 C7 C6 H6 115.9 . . ?
 C7 C6 C3 128.2(11) . . ?
 C3 C6 H6 115.9 . . ?
 C39 C38 H38 116.5 . . ?
 C37 C38 C39 127.1(10) . . ?
 C37 C38 H38 116.5 . . ?
 C67 C66 C65 118.2(16) . . ?
 C67 C66 C76 121.6(16) . . ?
 C65 C66 C76 119.9(15) . . ?
 C68 C67 H67 120.0 . . ?
 C66 C67 C68 120.0(15) . . ?
 C66 C67 H67 120.0 . . ?
 C55 C54 C53 123.9(12) . . ?
 C55 C54 H54 118.0 . . ?
 C53 C54 H54 118.0 . . ?
 C45 C44 C34 129.5(10) . . ?
 C45 C44 H44 115.3 . . ?
 C34 C44 H44 115.3 . . ?
 C109 C110 Rh3 68.4(2) . . ?
 C109 C110 C115 126.0 . . ?
 C111 C110 Rh3 71.8(2) . . ?
 C111 C110 C109 108.0 . . ?
 C111 C110 C115 126.0 . . ?
 C115 C110 Rh3 125.35(19) . . ?
 C110 C109 Rh3 72.6(2) . . ?
 C110 C109 C108 108.0 . . ?
 C110 C109 C114 126.0 . . ?
 C108 C109 Rh3 69.9(2) . . ?
 C108 C109 C114 126.0 . . ?
 C114 C109 Rh3 123.2(2) . . ?
 C109 C108 Rh3 70.5(2) . . ?
 C109 C108 C113 126.0 . . ?
 C112 C108 Rh3 72.3(2) . . ?
 C112 C108 C109 108.0 . . ?
 C112 C108 C113 126.0 . . ?
 C113 C108 Rh3 122.9(2) . . ?
 C108 C112 Rh3 68.5(2) . . ?
 C108 C112 C111 108.0 . . ?
 C108 C112 C117 126.0 . . ?
 C111 C112 Rh3 72.2(2) . . ?
 C111 C112 C117 126.0 . . ?
 C117 C112 Rh3 124.87(19) . . ?
 C110 C111 Rh3 69.9(2) . . ?
 C110 C111 C112 108.0 . . ?
 C110 C111 C116 126.0 . . ?
 C112 C111 Rh3 69.3(2) . . ?
 C112 C111 C116 126.0 . . ?
 C116 C111 Rh3 126.37(19) . . ?
 C110 C115 H11A 109.5 . . ?
 C110 C115 H11B 109.5 . . ?
 C110 C115 H11C 109.5 . . ?
 H11A C115 H11B 109.5 . . ?
 H11A C115 H11C 109.5 . . ?
 H11B C115 H11C 109.5 . . ?
 C109 C114 H11D 109.5 . . ?
 C109 C114 H11E 109.5 . . ?
 C109 C114 H11F 109.5 . . ?
 H11D C114 H11E 109.5 . . ?
 H11D C114 H11F 109.5 . . ?
 H11E C114 H11F 109.5 . . ?
 C108 C113 H11G 109.5 . . ?
 C108 C113 H11H 109.5 . . ?
 C108 C113 H11I 109.5 . . ?
 H11G C113 H11H 109.5 . . ?
 H11G C113 H11I 109.5 . . ?
 H11H C113 H11I 109.5 . . ?
 C112 C117 H11J 109.5 . . ?
 C112 C117 H11K 109.5 . . ?
 C112 C117 H11L 109.5 . . ?
 H11J C117 H11K 109.5 . . ?
 H11J C117 H11L 109.5 . . ?
 H11K C117 H11L 109.5 . . ?
 C111 C116 H11M 109.5 . . ?
 C111 C116 H11N 109.5 . . ?
 C111 C116 H11O 109.5 . . ?
 H11M C116 H11N 109.5 . . ?
 H11M C116 H11O 109.5 . . ?
 H11N C116 H11O 109.5 . . ?
 C92 C91 Rh4 68.8(7) . . ?
 C96 C91 Rh4 128.0(9) . . ?
 C96 C91 C92 126.3(16) . . ?
 C96 C91 C90 128.6(13) . . ?
 C90 C91 Rh4 70.6(8) . . ?
 C90 C91 C92 104.9(13) . . ?
 O10 C65 N5 116.3(18) . . ?
 O10 C65 C66 126.8(13) . . ?
 N5 C65 C66 116.8(17) . . ?
 C88 C92 Rh4 71.8(7) . . ?
 C88 C92 C91 106.2(14) . . ?
 C88 C92 C97 129.2(15) . . ?
 C91 C92 Rh4 70.0(7) . . ?
 C91 C92 C97 124.2(15) . . ?
 C97 C92 Rh4 128.6(10) . . ?
 C46 C50 H50 122.5 . . ?
 C49 C50 C46 115.1(11) . . ?
 C49 C50 H50 122.5 . . ?
 N1 C5 H5 117.6 . . ?
 N1 C5 C4 124.7(11) . . ?
 C4 C5 H5 117.6 . . ?
 C76 C77 C72 114.7(14) . . ?
 C69 C77 C72 122.5(17) . . ?
 C69 C77 C76 122.8(16) . . ?
 F1 C118 S1 110.4(13) . . ?
 F3 C118 S1 109.2(14) . . ?
 F3 C118 F1 102.6(13) . . ?
 F2 C118 S1 113.7(12) . . ?
 F2 C118 F1 112.0(18) . . ?
 F2 C118 F3 108.4(16) . . ?
 H94A C94 H94B 109.5 . . ?
 H94A C94 H94C 109.5 . . ?
 H94B C94 H94C 109.5 . . ?
 C89 C94 H94A 109.5 . . ?
 C89 C94 H94B 109.5 . . ?
 C89 C94 H94C 109.5 . . ?
 O3 C62 N7 121.4(14) . . ?
 O3 C62 C61 123.5(14) . . ?
 N7 C62 C61 114.6(13) . . ?
 C73 C72 C71 124.1(18) . . ?
 C73 C72 C77 121.2(16) . . ?
 C71 C72 C77 114.7(15) . . ?
 C75 C76 C66 117.6(15) . . ?
 C77 C76 C75 127.0(14) . . ?
 C77 C76 C66 115.3(14) . . ?
 C68 C69 C70 117.9(17) . . ?
 C77 C69 C68 120.9(17) . . ?
 C77 C69 C70 120.9(18) . . ?
 N3 C41 C40 121.1(12) . . ?
 N3 C41 H41 119.5 . . ?
 C40 C41 H41 119.5 . . ?
 O17 C20 H20A 110.0 . . ?
 O17 C20 H20B 110.0 . . ?
 O17 C20 C19 108.6(9) . . ?
 H20A C20 H20B 108.4 . . ?
 C19 C20 H20A 110.0 . . ?
 C19 C20 H20B 110.0 . . ?
 C2 C3 C6 124.5(10) . . ?
 C2 C3 C4 112.8(10) . . ?
 C4 C3 C6 122.4(11) . . ?
 C91 C96 H96A 109.5 . . ?
 C91 C96 H96B 109.5 . . ?
 C91 C96 H96C 109.5 . . ?
 H96A C96 H96B 109.5 . . ?
 H96A C96 H96C 109.5 . . ?
 H96B C96 H96C 109.5 . . ?
 C88 C93 H93A 109.5 . . ?
 C88 C93 H93B 109.5 . . ?
 C88 C93 H93C 109.5 . . ?
 H93A C93 H93B 109.5 . . ?
 H93A C93 H93C 109.5 . . ?
 H93B C93 H93C 109.5 . . ?
 C91 C90 Rh4 69.6(7) . . ?
 C91 C90 C95 123.2(14) . . ?
 C95 C90 Rh4 123.6(9) . . ?
 C89 C90 Rh4 69.9(8) . . ?
 C89 C90 C91 110.9(12) . . ?
 C89 C90 C95 125.7(16) . . ?
 C73 C74 C75 121.9(14) . . ?
 C73 C74 H74 119.0 . . ?
 C75 C74 H74 119.0 . . ?
 O15 C25 C26 109.2(9) . . ?
 O15 C25 H25A 109.8 . . ?
 O15 C25 H25B 109.8 . . ?
 C26 C25 H25A 109.8 . . ?
 C26 C25 H25B 109.8 . . ?
 H25A C25 H25B 108.3 . . ?
 O9 C70 N6 112.7(18) . . ?
 O9 C70 C69 129.1(17) . . ?
 C69 C70 N6 118.1(16) . . ?
 O16 C22 C21 103.2(9) . . ?
 O16 C22 H22A 111.1 . . ?
 O16 C22 H22B 111.1 . . ?
 C21 C22 H22A 111.1 . . ?
 C21 C22 H22B 111.1 . . ?
 H22A C22 H22B 109.1 . . ?
 F6 C119 S2 115.9(12) . . ?
 F6 C119 F5 110.3(13) . . ?
 F6 C119 F4 107.1(12) . . ?
 F5 C119 S2 110.6(11) . . ?
 F5 C119 F4 102.1(13) . . ?
 F4 C119 S2 110.0(11) . . ?
 C90 C95 H95A 109.5 . . ?
 C90 C95 H95B 109.5 . . ?
 C90 C95 H95C 109.5 . . ?
 H95A C95 H95B 109.5 . . ?
 H95A C95 H95C 109.5 . . ?
 H95B C95 H95C 109.5 . . ?
 C92 C97 H97A 109.5 . . ?
 C92 C97 H97B 109.5 . . ?
 C92 C97 H97C 109.5 . . ?
 H97A C97 H97B 109.5 . . ?
 H97A C97 H97C 109.5 . . ?
 H97B C97 H97C 109.5 . . ?
 C88 C89 Rh4 71.9(8) . . ?
 C88 C89 C94 126.0(18) . . ?
 C94 C89 Rh4 127.0(11) . . ?
 C90 C89 Rh4 71.9(8) . . ?
 C90 C89 C88 107.7(15) . . ?
 C90 C89 C94 125.9(18) . . ?
 Na2 O19 H19A 102.3(17) . . ?
 Na2 O19 H19 116(2) . . ?
 C121 O19 H19A 107(2) . . ?
 C121 O19 Na2 146.9(18) . . ?
 C122 O19 H19 106.1(19) . . ?
 C122 O19 Na2 136.6(18) . . ?
 C5 N1 Rh1 122.4(8) . . ?
 C1 N1 Rh1 121.1(10) . . ?
 C1 N1 C5 116.2(11) . . ?
 C5 C4 C3 120.2(12) . . ?
 C5 C4 H4 119.9 . . ?
 C3 C4 H4 119.9 . . ?
 N2 C15 C16 125.9(10) . . ?
 N2 C15 H15 117.1 . . ?
 C16 C15 H15 117.1 . . ?
 C60 C61 C63 121.0(11) . . ?
 C60 C61 C62 118.0(12) . . ?
 C63 C61 C62 120.6(13) . . ?
 Na2 O20 H20C 121(2) . . ?
 Na2 O20 H20 123(2) . . ?
 C24 O20 H20C 106(2) . . ?
 C24 O20 Na2 125.3(16) . . ?
 C120 O20 H20 108(2) . . ?
 C120 O20 Na2 124.5(9) . . ?
 C18 C17 C9 120.8(9) . . ?
 C18 C17 H17 119.6 . . ?
 C9 C17 H17 119.6 . . ?
 C8 C30 H30 119.2 . . ?
 C29 C30 C8 121.6(10) . . ?
 C29 C30 H30 119.2 . . ?
 O18 C19 C20 107.5(9) . . ?
 O18 C19 H19B 110.2 . . ?
 O18 C19 H19C 110.2 . . ?
 C20 C19 H19B 110.2 . . ?
 C20 C19 H19C 110.2 . . ?
 H19B C19 H19C 108.5 . . ?
 N4 C48 H48 118.8 . . ?
 C47 C48 N4 122.4(12) . . ?
 C47 C48 H48 118.8 . . ?
 C2 C1 H1 119.4 . . ?
 N1 C1 C2 121.1(12) . . ?
 N1 C1 H1 119.4 . . ?
 C46 C47 H47 119.9 . . ?
 C48 C47 C46 120.1(11) . . ?
 C48 C47 H47 119.9 . . ?
 O18 Na2 O13 55.6(2) . . ?
 O18 Na2 O16 123.8(3) . . ?
 O18 Na2 O15 178.1(3) . . ?
 O17 Na2 O18 62.3(2) . . ?
 O17 Na2 O13 117.4(3) . . ?
 O17 Na2 O14 166.5(3) . . ?
 O17 Na2 O16 61.6(2) . . ?
 O17 Na2 O15 117.9(3) . . ?
 O14 Na2 O18 117.0(3) . . ?
 O14 Na2 O13 61.7(2) . . ?
 O14 Na2 O16 118.2(3) . . ?
 O14 Na2 O15 62.3(2) . . ?
 O16 Na2 O13 176.1(3) . . ?
 O16 Na2 O15 56.5(2) . . ?
 O15 Na2 O13 123.9(3) . . ?
 O19 Na2 O18 88.5(3) . . ?
 O19 Na2 O13 87.7(3) . . ?
 O19 Na2 O17 83.5(3) . . ?
 O19 Na2 O14 83.0(3) . . ?
 O19 Na2 O16 88.4(3) . . ?
 O19 Na2 O15 89.7(3) . . ?
 O20 Na2 O18 90.1(3) . . ?
 O20 Na2 O13 92.2(3) . . ?
 O20 Na2 O17 95.1(3) . . ?
 O20 Na2 O14 98.4(3) . . ?
 O20 Na2 O16 91.6(3) . . ?
 O20 Na2 O15 91.7(3) . . ?
 O20 Na2 O19 178.4(4) . . ?
 O20 C24 H24A 109.5 . . ?
 O20 C24 H24B 109.5 . . ?
 O20 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 O20 C120 H12A 109.5 . . ?
 O20 C120 H12B 109.5 . . ?
 O20 C120 H12C 109.5 . . ?
 H12A C120 H12B 109.5 . . ?
 H12A C120 H12C 109.5 . . ?
 H12B C120 H12C 109.5 . . ?
 O19 C121 H12D 109.5 . . ?
 O19 C121 H12E 109.5 . . ?
 O19 C121 H12F 109.5 . . ?
 H12D C121 H12E 109.5 . . ?
 H12D C121 H12F 109.5 . . ?
 H12E C121 H12F 109.5 . . ?
 O19 C122 H12G 109.5 . . ?
 O19 C122 H12H 109.5 . . ?
 O19 C122 H12I 109.5 . . ?
 H12G C122 H12H 109.5 . . ?
 H12G C122 H12I 109.5 . . ?
 H12H C122 H12I 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Rh4 N3 C42 C43 -179.5(7) 13_665 . . . ?
 Rh4 N3 C41 C40 178.4(8) 13_665 . . . ?
 Rh4 C88 C92 C91 61.9(7) . . . . ?
 Rh4 C88 C92 C97 -125.3(15) . . . . ?
 Rh4 C88 C89 C94 123.1(15) . . . . ?
 Rh4 C88 C89 C90 -63.5(9) . . . . ?
 Rh4 C91 C92 C88 -63.1(8) . . . . ?
 Rh4 C91 C92 C97 123.7(13) . . . . ?
 Rh4 C91 C90 C95 -117.6(12) . . . . ?
 Rh4 C91 C90 C89 57.7(9) . . . . ?
 Rh4 C90 C89 C88 63.5(9) . . . . ?
 Rh4 C90 C89 C94 -123.1(14) . . . . ?
 Rh1 O1 C51 N7 12.9(14) . . . . ?
 Rh1 O1 C51 C52 -163.8(8) . . . . ?
 Rh1 O2 N7 C51 -16.0(11) . . . . ?
 Rh1 O2 N7 C62 160.8(7) . . . . ?
 Rh1 C80 C81 C82 -60.78(17) . . . . ?
 Rh1 C80 C81 C86 119.22(17) . . . . ?
 Rh1 C80 C79 C78 60.50(17) . . . . ?
 Rh1 C80 C79 C84 -119.51(17) . . . . ?
 Rh1 C81 C82 C78 -61.85(16) . . . . ?
 Rh1 C81 C82 C87 118.15(16) . . . . ?
 Rh1 C82 C78 C79 -62.23(18) . . . . ?
 Rh1 C82 C78 C83 117.77(18) . . . . ?
 Rh1 C78 C79 C80 -61.38(17) . . . . ?
 Rh1 C78 C79 C84 118.62(17) . . . . ?
 Rh1 N1 C1 C2 -177.4(8) . . . . ?
 Rh2 N2 C15 C16 177.7(8) . . . . ?
 Rh2 O11 N5 C23 13.7(11) . . . . ?
 Rh2 O11 N5 C65 -165.0(7) . . . . ?
 Rh2 O12 C23 C75 165.7(8) . . . . ?
 Rh2 O12 C23 N5 -8.3(14) . . . . ?
 Rh2 C102 C101 C100 60.4(2) . . . . ?
 Rh2 C102 C101 C106 -119.6(2) . . . . ?
 Rh2 C102 C98 C99 -60.8(2) . . . . ?
 Rh2 C102 C98 C103 119.23(19) . . . . ?
 Rh2 C101 C100 C99 60.8(2) . . . . ?
 Rh2 C101 C100 C105 -119.3(2) . . . . ?
 Rh2 C100 C99 C98 61.32(19) . . . . ?
 Rh2 C100 C99 C104 -118.68(19) . . . . ?
 Rh2 C99 C98 C102 61.3(2) . . . . ?
 Rh2 C99 C98 C103 -118.7(2) . . . . ?
 Rh3 O7 C71 N6 19.2(10) . . . . ?
 Rh3 O7 C71 C72 -159.2(8) . . . . ?
 Rh3 N4 C49 C50 178.7(9) 13_665 . . . ?
 Rh3 N4 C48 C47 177.5(9) 13_665 . . . ?
 Rh3 C110 C109 C108 61.2(2) . . . . ?
 Rh3 C110 C109 C114 -118.8(2) . . . . ?
 Rh3 C110 C111 C112 -59.1(2) . . . . ?
 Rh3 C110 C111 C116 120.9(2) . . . . ?
 Rh3 C109 C108 C112 63.0(2) . . . . ?
 Rh3 C109 C108 C113 -117.0(2) . . . . ?
 Rh3 C108 C112 C111 61.8(2) . . . . ?
 Rh3 C108 C112 C117 -118.2(2) . . . . ?
 Rh3 C112 C111 C110 59.4(2) . . . . ?
 Rh3 C112 C111 C116 -120.6(2) . . . . ?
 O18 C18 C29 O13 0.6(12) . . . . ?
 O18 C18 C29 C30 -178.3(9) . . . . ?
 O18 C18 C17 C9 175.7(8) . . . . ?
 O13 C28 C27 O14 61.4(12) . . . . ?
 O13 C29 C30 C8 -175.7(9) . . . . ?
 N8 C56 C55 C64 -2.5(13) . . . . ?
 N8 C56 C55 C54 178.3(10) . . . . ?
 N8 C56 O6 Rh4 -9.0(12) . . . . ?
 O1 C51 C52 C63 177.2(11) . . . . ?
 O1 C51 C52 C53 -1.9(16) . . . . ?
 O26 S1 C118 F1 63.4(13) . . . . ?
 O26 S1 C118 F3 175.4(12) . . . . ?
 O26 S1 C118 F2 -63.4(17) . . . . ?
 O17 C21 C22 O16 65.3(11) . . . . ?
 O17 C20 C19 O18 -64.9(12) . . . . ?
 O25 S1 C118 F1 -58.4(14) . . . . ?
 O25 S1 C118 F3 53.6(15) . . . . ?
 O25 S1 C118 F2 174.8(14) . . . . ?
 C58 C64 C63 C52 180.0(8) . . . . ?
 C58 C64 C63 C61 1.2(13) . . . . ?
 C39 C43 C42 N3 2.1(15) . . . . ?
 C39 C40 C41 N3 0.0(17) . . . . ?
 C11 C10 C9 C8 -178.8(9) . . . . ?
 C11 C10 C9 C17 -2.1(14) . . . . ?
 C11 C12 C16 C15 -177.0(10) . . . . ?
 C11 C12 C13 C14 -179.2(11) . . . . ?
 C37 C33 C34 C35 -175.8(8) . . . . ?
 C37 C33 C34 C44 -0.5(13) . . . . ?
 O2 N7 C51 O1 1.8(15) . . . . ?
 O2 N7 C51 C52 178.9(8) . . . . ?
 O2 N7 C62 O3 4.2(14) . . . . ?
 O2 N7 C62 C61 176.8(8) . . . . ?
 C56 N8 C57 C58 -1.0(13) . . . . ?
 C56 N8 C57 O4 -179.7(9) . . . . ?
 C56 N8 O5 Rh4 16.3(9) . . . . ?
 C56 C55 C64 C58 -0.5(13) . . . . ?
 C56 C55 C64 C63 -178.4(8) . . . . ?
 C56 C55 C54 C53 179.3(10) . . . . ?
 O3 C62 C61 C60 -5.5(15) . . . . ?
 O3 C62 C61 C63 -179.1(10) . . . . ?
 O14 C26 C25 O15 -60.5(13) . . . . ?
 C18 O18 C19 C20 -171.2(9) . . . . ?
 C18 C29 C30 C8 3.0(14) . . . . ?
 C32 C33 C34 C35 0.2(12) . . . . ?
 C32 C33 C34 C44 175.5(8) . . . . ?
 N7 C51 C52 C63 0.4(14) . . . . ?
 N7 C51 C52 C53 -178.7(10) . . . . ?
 N7 C62 C61 C60 -177.9(9) . . . . ?
 N7 C62 C61 C63 8.5(13) . . . . ?
 C57 N8 C56 C55 3.2(14) . . . . ?
 C57 N8 C56 O6 175.4(9) . . . . ?
 C57 N8 O5 Rh4 -163.9(6) . . . . ?
 C57 C58 C64 C55 2.5(13) . . . . ?
 C57 C58 C64 C63 -179.5(7) . . . . ?
 C57 C58 C59 C60 178.2(8) . . . . ?
 O15 C36 C35 C34 178.3(8) . . . . ?
 O15 C36 C31 O16 -3.6(12) . . . . ?
 O15 C36 C31 C32 -176.2(8) . . . . ?
 C33 C37 C38 C39 179.4(9) . . . . ?
 C33 C32 C31 O16 -176.6(8) . . . . ?
 C33 C32 C31 C36 -4.7(14) . . . . ?
 C33 C34 C35 C36 0.7(13) . . . . ?
 C33 C34 C44 C45 -179.1(10) . . . . ?
 C10 C11 C12 C16 -0.4(17) . . . . ?
 C10 C11 C12 C13 -175.0(10) . . . . ?
 C10 C9 C17 C18 -175.3(8) . . . . ?
 C45 C46 C50 C49 -177.7(9) . . . . ?
 C45 C46 C47 C48 174.4(10) . . . . ?
 C51 N7 C62 O3 -179.4(11) . . . . ?
 C51 N7 C62 C61 -6.9(15) . . . . ?
 C28 O13 C29 C18 -177.0(8) . . . . ?
 C28 O13 C29 C30 1.8(14) . . . . ?
 O5 N8 C56 C55 -177.1(7) . . . . ?
 O5 N8 C56 O6 -4.9(14) . . . . ?
 O5 N8 C57 C58 179.2(7) . . . . ?
 O5 N8 C57 O4 0.6(13) . . . . ?
 C14 N2 C15 C16 5.0(16) . . . . ?
 C55 C56 O6 Rh4 163.1(7) . . . . ?
 C55 C64 C63 C52 -1.9(13) . . . . ?
 C55 C64 C63 C61 179.4(9) . . . . ?
 O6 C56 C55 C64 -174.9(9) . . . . ?
 O6 C56 C55 C54 5.9(15) . . . . ?
 C64 C58 C57 N8 -1.8(11) . . . . ?
 C64 C58 C57 O4 176.9(9) . . . . ?
 C64 C58 C59 C60 -1.3(15) . . . . ?
 C64 C55 C54 C53 0.1(16) . . . . ?
 C64 C63 C52 C51 -177.0(9) . . . . ?
 C64 C63 C52 C53 2.0(15) . . . . ?
 C64 C63 C61 C60 -1.1(15) . . . . ?
 C64 C63 C61 C62 172.3(8) . . . . ?
 N2 C14 C13 C12 -3.9(19) . . . . ?
 C43 C39 C40 C41 -1.5(16) . . . . ?
 C43 C39 C38 C37 1.3(16) . . . . ?
 O21 S2 C119 F6 174.9(10) . . . . ?
 O21 S2 C119 F5 -58.7(11) . . . . ?
 O21 S2 C119 F4 53.3(13) . . . . ?
 C40 C39 C43 C42 0.5(15) . . . . ?
 C40 C39 C38 C37 176.7(10) . . . . ?
 O7 C71 C72 C73 -3.5(16) . . . . ?
 O7 C71 C72 C77 -179.7(8) . . . . ?
 C8 C9 C17 C18 1.6(13) . . . . ?
 C8 C7 C6 C3 178.9(9) . . . . ?
 C46 C45 C44 C34 -178.7(9) . . . . ?
 C36 O15 C25 C26 -169.2(9) . . . . ?
 C9 C8 C7 C6 -175.2(10) . . . . ?
 C9 C8 C30 C29 -2.9(14) . . . . ?
 C29 O13 C28 C27 173.7(9) . . . . ?
 C29 C18 C17 C9 -1.6(14) . . . . ?
 O11 N5 C23 C75 -177.8(9) . . . . ?
 O11 N5 C23 O12 -3.5(16) . . . . ?
 O11 N5 C65 O10 -2.5(15) . . . . ?
 O11 N5 C65 C66 -178.9(9) . . . . ?
 C35 C34 C44 C45 -4.0(16) . . . . ?
 C35 C36 C31 O16 178.2(9) . . . . ?
 C35 C36 C31 C32 5.6(15) . . . . ?
 C12 C11 C10 C9 178.6(9) . . . . ?
 C12 C16 C15 N2 -3.2(17) . . . . ?
 O23 S2 C119 F6 -59.8(12) . . . . ?
 O23 S2 C119 F5 66.6(11) . . . . ?
 O23 S2 C119 F4 178.6(11) . . . . ?
 N6 C71 C72 C73 178.3(10) . . . . ?
 N6 C71 C72 C77 2.2(16) . . . . ?
 O24 S1 C118 F1 -177.7(11) . . . . ?
 O24 S1 C118 F3 -65.7(14) . . . . ?
 O24 S1 C118 F2 55.5(17) . . . . ?
 C102 C101 C100 Rh2 -60.7(2) . . . . ?
 C102 C101 C100 C99 0.0 . . . . ?
 C102 C101 C100 C105 180.0 . . . . ?
 C101 C102 C98 Rh2 60.77(19) . . . . ?
 C101 C102 C98 C99 0.0 . . . . ?
 C101 C102 C98 C103 180.0 . . . . ?
 C101 C100 C99 Rh2 -61.32(19) . . . . ?
 C101 C100 C99 C98 0.0 . . . . ?
 C101 C100 C99 C104 180.0 . . . . ?
 C100 C99 C98 Rh2 -61.3(2) . . . . ?
 C100 C99 C98 C102 0.0 . . . . ?
 C100 C99 C98 C103 180.0 . . . . ?
 C98 C102 C101 Rh2 -60.4(2) . . . . ?
 C98 C102 C101 C100 0.0 . . . . ?
 C98 C102 C101 C106 180.0 . . . . ?
 C107 C102 C101 Rh2 119.6(2) . . . . ?
 C107 C102 C101 C100 180.0 . . . . ?
 C107 C102 C101 C106 0.0 . . . . ?
 C107 C102 C98 Rh2 -119.23(19) . . . . ?
 C107 C102 C98 C99 180.0 . . . . ?
 C107 C102 C98 C103 0.0 . . . . ?
 C106 C101 C100 Rh2 119.2(2) . . . . ?
 C106 C101 C100 C99 180.0 . . . . ?
 C106 C101 C100 C105 0.0 . . . . ?
 C105 C100 C99 Rh2 118.68(19) . . . . ?
 C105 C100 C99 C98 180.0 . . . . ?
 C105 C100 C99 C104 0.0 . . . . ?
 C104 C99 C98 Rh2 118.7(2) . . . . ?
 C104 C99 C98 C102 180.0 . . . . ?
 C104 C99 C98 C103 0.0 . . . . ?
 O8 N6 C71 O7 -2.7(14) . . . . ?
 O8 N6 C71 C72 175.6(10) . . . . ?
 O8 N6 C70 O9 3.0(14) . . . . ?
 O8 N6 C70 C69 179.7(9) . . . . ?
 C42 N3 C41 C40 2.4(15) . . . . ?
 C21 O17 C20 C19 -179.8(9) . . . . ?
 C80 C81 C82 Rh1 61.85(16) . . . . ?
 C80 C81 C82 C78 0.0 . . . . ?
 C80 C81 C82 C87 180.0 . . . . ?
 C81 C80 C79 Rh1 -60.50(17) . . . . ?
 C81 C80 C79 C78 0.0 . . . . ?
 C81 C80 C79 C84 180.0 . . . . ?
 C81 C82 C78 Rh1 62.23(18) . . . . ?
 C81 C82 C78 C79 0.0 . . . . ?
 C81 C82 C78 C83 180.0 . . . . ?
 C82 C78 C79 Rh1 61.38(17) . . . . ?
 C82 C78 C79 C80 0.0 . . . . ?
 C82 C78 C79 C84 180.0 . . . . ?
 C79 C80 C81 Rh1 60.78(17) . . . . ?
 C79 C80 C81 C82 0.0 . . . . ?
 C79 C80 C81 C86 180.0 . . . . ?
 C85 C80 C81 Rh1 -119.22(17) . . . . ?
 C85 C80 C81 C82 180.0 . . . . ?
 C85 C80 C81 C86 0.0 . . . . ?
 C85 C80 C79 Rh1 119.50(17) . . . . ?
 C85 C80 C79 C78 180.0 . . . . ?
 C85 C80 C79 C84 0.0 . . . . ?
 C86 C81 C82 Rh1 -118.15(16) . . . . ?
 C86 C81 C82 C78 180.0 . . . . ?
 C86 C81 C82 C87 0.0 . . . . ?
 C87 C82 C78 Rh1 -117.77(18) . . . . ?
 C87 C82 C78 C79 180.0 . . . . ?
 C87 C82 C78 C83 0.0 . . . . ?
 C83 C78 C79 Rh1 -118.62(16) . . . . ?
 C83 C78 C79 C80 180.0 . . . . ?
 C83 C78 C79 C84 0.0 . . . . ?
 C31 O16 C22 C21 172.3(9) . . . . ?
 C31 C32 C33 C37 177.9(8) . . . . ?
 C31 C32 C33 C34 1.7(12) . . . . ?
 C31 C36 C35 C34 -3.6(15) . . . . ?
 C68 C69 C70 N6 -178.5(9) . . . . ?
 C68 C69 C70 O9 -2.3(18) . . . . ?
 C16 C12 C13 C14 5.4(16) . . . . ?
 C13 C14 N2 Rh2 -174.2(10) . . . . ?
 C13 C14 N2 C15 -1.4(17) . . . . ?
 C13 C12 C16 C15 -2.1(14) . . . . ?
 C7 C8 C9 C10 -1.6(13) . . . . ?
 C7 C8 C9 C17 -178.3(8) . . . . ?
 C7 C8 C30 C29 176.0(9) . . . . ?
 C7 C6 C3 C2 2.1(17) . . . . ?
 C7 C6 C3 C4 175.3(10) . . . . ?
 C23 C75 C76 C66 2.6(15) . . . . ?
 C23 C75 C76 C77 178.9(10) . . . . ?
 C23 C75 C74 C73 -179.4(11) . . . . ?
 C23 N5 C65 O10 179.0(11) . . . . ?
 C23 N5 C65 C66 2.6(16) . . . . ?
 C71 N6 O8 Rh3 -15.5(12) . . . . ?
 C71 N6 C70 O9 176.8(9) . . . . ?
 C71 N6 C70 C69 -6.5(14) . . . . ?
 N4 C49 C50 C46 1.7(18) . . . . ?
 N4 C48 C47 C46 5.0(18) . . . . ?
 C59 C58 C57 N8 178.6(9) . . . . ?
 C59 C58 C57 O4 -2.6(13) . . . . ?
 C59 C58 C64 C55 -178.0(9) . . . . ?
 C59 C58 C64 C63 0.0(14) . . . . ?
 C59 C60 C61 C63 -0.3(15) . . . . ?
 C59 C60 C61 C62 -173.8(9) . . . . ?
 C49 N4 C48 C47 -9.0(17) . . . . ?
 C26 O14 C27 C28 176.7(10) . . . . ?
 C27 O14 C26 C25 -176.0(9) . . . . ?
 C2 C3 C4 C5 -4.7(16) . . . . ?
 C52 C63 C61 C60 -179.8(9) . . . . ?
 C52 C63 C61 C62 -6.4(14) . . . . ?
 C52 C53 C54 C55 0.0(16) . . . . ?
 C6 C3 C4 C5 -178.7(11) . . . . ?
 C38 C39 C43 C42 176.1(9) . . . . ?
 C38 C39 C40 C41 -177.3(10) . . . . ?
 C38 C37 C33 C32 5.3(15) . . . . ?
 C38 C37 C33 C34 -178.7(9) . . . . ?
 C67 C68 C69 C77 0.2(17) . . . . ?
 C67 C68 C69 C70 -174.6(11) . . . . ?
 C67 C66 C65 O10 7.1(18) . . . . ?
 C67 C66 C65 N5 -177.0(10) . . . . ?
 C67 C66 C76 C75 174.4(10) . . . . ?
 C67 C66 C76 C77 -2.3(15) . . . . ?
 C54 C55 C64 C58 178.9(9) . . . . ?
 C54 C55 C64 C63 0.9(14) . . . . ?
 C54 C53 C52 C51 177.9(9) . . . . ?
 C54 C53 C52 C63 -1.1(15) . . . . ?
 C44 C45 C46 C50 -6.8(16) . . . . ?
 C44 C45 C46 C47 -178.3(11) . . . . ?
 C44 C34 C35 C36 -174.7(9) . . . . ?
 C110 C109 C108 Rh3 -63.0(2) . . . . ?
 C110 C109 C108 C112 0.0 . . . . ?
 C110 C109 C108 C113 180.0 . . . . ?
 C109 C110 C111 Rh3 59.1(2) . . . . ?
 C109 C110 C111 C112 0.0 . . . . ?
 C109 C110 C111 C116 180.0 . . . . ?
 C109 C108 C112 Rh3 -61.8(2) . . . . ?
 C109 C108 C112 C111 0.0 . . . . ?
 C109 C108 C112 C117 180.0 . . . . ?
 C108 C112 C111 Rh3 -59.4(2) . . . . ?
 C108 C112 C111 C110 0.0 . . . . ?
 C108 C112 C111 C116 180.0 . . . . ?
 C111 C110 C109 Rh3 -61.2(2) . . . . ?
 C111 C110 C109 C108 0.0 . . . . ?
 C111 C110 C109 C114 180.0 . . . . ?
 C115 C110 C109 Rh3 118.8(2) . . . . ?
 C115 C110 C109 C108 180.0 . . . . ?
 C115 C110 C109 C114 0.0 . . . . ?
 C115 C110 C111 Rh3 -120.9(2) . . . . ?
 C115 C110 C111 C112 180.0 . . . . ?
 C115 C110 C111 C116 0.0 . . . . ?
 C114 C109 C108 Rh3 117.0(2) . . . . ?
 C114 C109 C108 C112 180.0 . . . . ?
 C114 C109 C108 C113 0.0 . . . . ?
 C113 C108 C112 Rh3 118.2(2) . . . . ?
 C113 C108 C112 C111 180.0 . . . . ?
 C113 C108 C112 C117 0.0 . . . . ?
 C117 C112 C111 Rh3 120.6(2) . . . . ?
 C117 C112 C111 C110 180.0 . . . . ?
 C117 C112 C111 C116 0.0 . . . . ?
 C91 C90 C89 Rh4 -57.5(9) . . . . ?
 C91 C90 C89 C88 5.9(15) . . . . ?
 C91 C90 C89 C94 179.4(12) . . . . ?
 C65 N5 C23 C75 0.8(16) . . . . ?
 C65 N5 C23 O12 175.1(11) . . . . ?
 C65 C66 C67 C68 177.0(11) . . . . ?
 C65 C66 C76 C75 1.2(14) . . . . ?
 C65 C66 C76 C77 -175.5(9) . . . . ?
 C92 C88 C89 Rh4 56.8(9) . . . . ?
 C92 C88 C89 C94 179.9(13) . . . . ?
 C92 C88 C89 C90 -6.7(15) . . . . ?
 C92 C91 C90 Rh4 -60.7(7) . . . . ?
 C92 C91 C90 C95 -178.2(11) . . . . ?
 C92 C91 C90 C89 -2.9(13) . . . . ?
 C50 C46 C47 C48 2.5(16) . . . . ?
 C5 N1 C1 C2 -3.4(15) . . . . ?
 C77 C69 C70 N6 6.8(15) . . . . ?
 C77 C69 C70 O9 -177.1(11) . . . . ?
 C62 N7 C51 O1 -174.4(10) . . . . ?
 C62 N7 C51 C52 2.6(16) . . . . ?
 C72 C73 C74 C75 -0.6(18) . . . . ?
 C72 C77 C76 C75 1.8(15) . . . . ?
 C72 C77 C76 C66 178.1(8) . . . . ?
 C72 C77 C69 C68 -176.9(10) . . . . ?
 C72 C77 C69 C70 -2.3(16) . . . . ?
 C76 C75 C23 O12 -178.2(10) . . . . ?
 C76 C75 C23 N5 -3.6(15) . . . . ?
 C76 C75 C74 C73 5.0(15) . . . . ?
 C76 C66 C67 C68 3.7(17) . . . . ?
 C76 C66 C65 O10 -179.5(11) . . . . ?
 C76 C66 C65 N5 -3.5(15) . . . . ?
 C76 C77 C72 C73 3.3(14) . . . . ?
 C76 C77 C72 C71 179.6(9) . . . . ?
 C76 C77 C69 C68 1.1(16) . . . . ?
 C76 C77 C69 C70 175.7(10) . . . . ?
 C69 C68 C67 C66 -2.6(18) . . . . ?
 C69 C77 C72 C73 -178.4(10) . . . . ?
 C69 C77 C72 C71 -2.2(15) . . . . ?
 C69 C77 C76 C75 -176.5(10) . . . . ?
 C69 C77 C76 C66 -0.1(14) . . . . ?
 C41 N3 C42 C43 -3.5(14) . . . . ?
 C20 O17 C21 C22 174.4(9) . . . . ?
 C3 C2 C1 N1 -0.3(17) . . . . ?
 C96 C91 C92 Rh4 -122.4(12) . . . . ?
 C96 C91 C92 C88 174.6(11) . . . . ?
 C96 C91 C92 C97 1.3(19) . . . . ?
 C96 C91 C90 Rh4 123.7(12) . . . . ?
 C96 C91 C90 C95 6.2(19) . . . . ?
 C96 C91 C90 C89 -178.5(12) . . . . ?
 C93 C88 C92 Rh4 114.1(12) . . . . ?
 C93 C88 C92 C91 176.0(12) . . . . ?
 C93 C88 C92 C97 -11(2) . . . . ?
 C93 C88 C89 Rh4 -113.5(15) . . . . ?
 C93 C88 C89 C94 10(2) . . . . ?
 C93 C88 C89 C90 -177.0(14) . . . . ?
 O22 S2 C119 F6 57.0(12) . . . . ?
 O22 S2 C119 F5 -176.7(10) . . . . ?
 O22 S2 C119 F4 -64.7(13) . . . . ?
 C90 C91 C92 Rh4 61.9(8) . . . . ?
 C90 C91 C92 C88 -1.2(12) . . . . ?
 C90 C91 C92 C97 -174.4(12) . . . . ?
 C74 C73 C72 C71 -179.8(11) . . . . ?
 C74 C73 C72 C77 -3.9(17) . . . . ?
 C74 C75 C23 O12 6.7(16) . . . . ?
 C74 C75 C23 N5 -178.6(9) . . . . ?
 C74 C75 C76 C66 178.1(8) . . . . ?
 C74 C75 C76 C77 -5.6(14) . . . . ?
 C25 O15 C36 C35 -8.8(14) . . . . ?
 C25 O15 C36 C31 173.1(10) . . . . ?
 C70 N6 O8 Rh3 157.7(7) . . . . ?
 C70 N6 C71 O7 -176.1(8) . . . . ?
 C70 N6 C71 C72 2.1(15) . . . . ?
 C22 O16 C31 C32 -0.3(13) . . . . ?
 C22 O16 C31 C36 -172.6(9) . . . . ?
 C95 C90 C89 Rh4 117.6(13) . . . . ?
 C95 C90 C89 C88 -178.9(12) . . . . ?
 C95 C90 C89 C94 -5(2) . . . . ?
 C89 C88 C92 Rh4 -57.1(10) . . . . ?
 C89 C88 C92 C91 4.8(14) . . . . ?
 C89 C88 C92 C97 177.6(13) . . . . ?
 N1 C5 C4 C3 1(2) . . . . ?
 C4 C5 N1 Rh1 176.8(10) . . . . ?
 C4 C5 N1 C1 2.8(18) . . . . ?
 C61 C60 C59 C58 1.4(14) . . . . ?
 C61 C63 C52 C51 1.8(14) . . . . ?
 C61 C63 C52 C53 -179.2(10) . . . . ?
 C17 C18 C29 O13 178.1(8) . . . . ?
 C17 C18 C29 C30 -0.7(14) . . . . ?
 C30 C8 C9 C10 177.2(8) . . . . ?
 C30 C8 C9 C17 0.6(12) . . . . ?
 C30 C8 C7 C6 5.9(14) . . . . ?
 C19 O18 C18 C29 175.3(9) . . . . ?
 C19 O18 C18 C17 -2.1(14) . . . . ?
 C48 N4 C49 C50 5.6(18) . . . . ?
 C1 C2 C3 C6 178.1(10) . . . . ?
 C1 C2 C3 C4 4.2(15) . . . . ?
 C47 C46 C50 C49 -5.7(14) . . . . ?
 Na2 O18 C18 C29 -30.9(10) . . . . ?
 Na2 O18 C18 C17 151.7(8) . . . . ?
 Na2 O18 C19 C20 33.8(11) . . . . ?
 Na2 O13 C28 C27 -32.1(11) . . . . ?
 Na2 O13 C29 C18 29.5(10) . . . . ?
 Na2 O13 C29 C30 -151.7(8) . . . . ?
 Na2 O17 C21 C22 -66.9(9) . . . . ?
 Na2 O17 C20 C19 63.0(10) . . . . ?
 Na2 O14 C26 C25 60.7(10) . . . . ?
 Na2 O14 C27 C28 -61.0(11) . . . . ?
 Na2 O16 C31 C32 -157.0(7) . . . . ?
 Na2 O16 C31 C36 30.7(11) . . . . ?
 Na2 O16 C22 C21 -31.0(10) . . . . ?
 Na2 O15 C36 C35 153.3(8) . . . . ?
 Na2 O15 C36 C31 -24.8(11) . . . . ?
 Na2 O15 C25 C26 28.2(12) . . . . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 0.000 0.000 0.000 2572.9 726.5 '39 CH3OH'
 2 -0.431 -0.552 -0.255 34666.1 9585.0 '132 CF3SO3'
 3 0.000 0.500 0.500 2572.9 726.5 '39 CH3OH'
 4 0.500 0.000 0.500 2572.9 726.5 '39 CH3OH'
 5 0.500 0.500 0.000 2572.9 726.5 '39 CH3OH'

_smtbx_masks_void_probe_radius     1.2
_smtbx_masks_void_truncation_radius  1.2
_olex2_submission_special_instructions  'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT026_8
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        34% Check 
RESPONSE: The B-level alerts arise from the diffraction data being slightly weak.
;
_vrf_PLAT084_8
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.40 Report
RESPONSE: The crystals all showed strong diffuse scattering in the form of diffuse
 Bragg peaks and scattering between them. As the model does not account for this 
type of disorder this is results in a high wR2.
;
_vrf_PLAT420_8
;
PROBLEM: D-H Bond Without Acceptor  O19      --H19      .     Please Check 
RESPONSE: This OH (O19-H19, O19-H19A,  O20-H20 and O20-H20C) groups are methanol
 solvents coordinating two Na ions which are buried in the surface of the cluster molecule 
without obvious hydrogen bond.
;
# end Validation Reply Form
