data_Compound2
_audit_creation_date               2024-03-24
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number       '2019/3'
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '2(C51 H63 N4 P Sn), C5 H12'
_chemical_formula_sum              'C107 H138 N8 P2 Sn2'
_chemical_formula_weight           1835.57
_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'
 'N' 'N' 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sn' 'Sn' 0.1164 4.3256 '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        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     12.6059(8)
_cell_length_b                     10.4952(7)
_cell_length_c                     39.380(2)
_cell_angle_alpha                  90
_cell_angle_beta                   96.890(3)
_cell_angle_gamma                  90
_cell_volume                       5172.4(6)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9941
_cell_measurement_temperature      100.0(2)
_cell_measurement_theta_max        52.939
_cell_measurement_theta_min        2.946
_shelx_estimated_absorpt_T_max     0.750
_shelx_estimated_absorpt_T_min     0.693
_exptl_absorpt_coefficient_mu      3.046
_exptl_absorpt_correction_T_max    0.7505
_exptl_absorpt_correction_T_min    0.5471
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1301 before and 0.1027 after correction.
The Ratio of minimum to maximum transmission is 0.7290.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.179
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1932
_exptl_crystal_size_max            0.13
_exptl_crystal_size_mid            0.11
_exptl_crystal_size_min            0.1
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0741
_diffrn_reflns_av_unetI/netI       0.0584
_diffrn_reflns_Laue_measured_fraction_full  0.991
_diffrn_reflns_Laue_measured_fraction_max  0.991
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         8
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         46
_diffrn_reflns_limit_l_min         -46
_diffrn_reflns_number              45171
_diffrn_reflns_point_group_measured_fraction_full  0.991
_diffrn_reflns_point_group_measured_fraction_max  0.991
_diffrn_reflns_theta_full          53.053
_diffrn_reflns_theta_max           53.053
_diffrn_reflns_theta_min           3.072
_diffrn_ambient_temperature        100.0(2)
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CMOS area detector'
_diffrn_measured_fraction_theta_full  0.991
_diffrn_measured_fraction_theta_max  0.991
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker D8 VENTURE'
_diffrn_measurement_method         'ω and φ 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                  7360
_reflns_number_total               9085
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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         'Apex3 (Bruker 2018)'
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT 2014'
_refine_diff_density_max           1.090
_refine_diff_density_min           -0.740
_refine_diff_density_rms           0.100
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.128
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       879
_refine_ls_number_reflns           9085
_refine_ls_number_restraints       1325
_refine_ls_R_factor_all            0.0837
_refine_ls_R_factor_gt             0.0680
_refine_ls_restrained_S_all        1.076
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0621P)²+24.6089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1798
_refine_ls_wR_factor_ref           0.1875
_refine_special_details
;
The main structure, except for the two Dipp groups on nitrogen atoms, was refined to exhibit disorder over two sites with occupancies of 0.742 and 0.258. We restrained the two disordered components to have the same geometric structures with default effective standard deviations of 0.02 and 0.04 by applying the SHELXL SAME instruction:
SAME 0.02 0.04 C16 C28 Sn1A P1A N1A > N4A C1A C2A C14A C15A C29A > C51A
The free guest solvent molecule, pentane, located near the inversion center, was refined as special disorder with an occupancy of 0.5. The bond lengths and 1,3-distances of the disordered pentane were constrained to the target values of 1.54 angstrom and 2.515 angstrom, with effective standard deviations of 0.01 and 0.02, respectively, using SHELXL DFIX and DANG instructions:
DFIX 1.54 0.01 C56 C55 C55 C54 C54 C53 C53 C52
DANG 2.515 0.02 C52 C54 C53 C55 C54 C56
Additionally, all non-hydrogen atoms located closer than 2 angstrom were restrained to have the same Uij components, with effective standard deviations of 0.01 and 0.02, by applying the SHELXL SIMU instruction:
SIMU 0.01 0.02 2
Reflections where |Error/esd| > 9 were omitted in the refinement by applying SHELXL OMIT instructions:
OMIT 0 1 1
OMIT 0 1 3
OMIT 0 0 2
OMIT 1 1 0
OMIT -3 1 2
These SHELXL restraints were applied to ensure stable refinement and to maintain the chemical reasonableness of the structureï>!ï>/s geometry.
;
_olex2_refinement_description
;
1. Restrained distances
 C56-C55 = C55-C54 = C54-C53 = C53-C52
 1.54 with sigma of 0.01
 C52-C54 = C53-C55 = C54-C56
 2.515 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
3. Same fragment restrains
{C16, C28, Sn1A, P1A, N1A, N2A, N3A, N4A, C1A, C2A, C14A, C15A, C29A, C30A,
C31A, C32A, C33A, C34A, C35A, C36A, C37A, C38A, C39A, C40A, C41A, C42A, C43A,
C44A, C45A, C46A, C47A, C48A, C49A, C50A, C51A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C16, C28, Sn1, P1, N1, N2, N3, N4, C1, C2, C14, C15, C29, C30, C31, C32, C33,
C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48, C49,
C50, C51}
4. Others
 Sof(Sn1A)=Sof(P1A)=Sof(N1A)=Sof(N2A)=Sof(N3A)=Sof(N4A)=Sof(C1A)=Sof(C2A)=
 Sof(C14A)=Sof(H14C)=Sof(H14D)=Sof(C15A)=Sof(H15C)=Sof(H15D)=Sof(C29A)=
 Sof(C30A)=Sof(H30A)=Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32A)=Sof(C33A)=
 Sof(C34A)=Sof(C35A)=Sof(C36A)=Sof(H36A)=Sof(C37A)=Sof(C38A)=Sof(H38A)=
 Sof(C39A)=Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=Sof(C41A)=Sof(H41D)=
 Sof(H41E)=Sof(H41F)=Sof(C42A)=Sof(H42D)=Sof(H42E)=Sof(H42F)=Sof(C43A)=
 Sof(C44A)=Sof(C45A)=Sof(H45A)=Sof(C46A)=Sof(C47A)=Sof(H47A)=Sof(C48A)=
 Sof(C49A)=Sof(H49D)=Sof(H49E)=Sof(H49F)=Sof(C50A)=Sof(H50D)=Sof(H50E)=
 Sof(H50F)=Sof(C51A)=Sof(H51D)=Sof(H51E)=Sof(H51F)=1-FVAR(1)
 Sof(Sn1)=Sof(P1)=Sof(N1)=Sof(N2)=Sof(N3)=Sof(N4)=Sof(C1)=Sof(C2)=Sof(C14)=
 Sof(H14A)=Sof(H14B)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(C29)=Sof(C30)=Sof(H30)=
 Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32)=Sof(C33)=Sof(C34)=Sof(C35)=Sof(C36)=
 Sof(H36)=Sof(C37)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(C40)=Sof(H40A)=Sof(H40B)=
 Sof(H40C)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C42)=Sof(H42A)=Sof(H42B)=
 Sof(H42C)=Sof(C43)=Sof(C44)=Sof(C45)=Sof(H45)=Sof(C46)=Sof(C47)=Sof(H47)=
 Sof(C48)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(H49C)=Sof(C50)=Sof(H50A)=Sof(H50B)=
 Sof(H50C)=Sof(C51)=Sof(H51A)=Sof(H51B)=Sof(H51C)=FVAR(1)
 Fixed Sof: C52(0.5) H52A(0.5) H52B(0.5) H52C(0.5) C53(0.5) H53A(0.5)
 H53B(0.5) C54(0.5) H54A(0.5) H54B(0.5) C55(0.5) H55A(0.5) H55B(0.5) C56(0.5)
 H56A(0.5) H56B(0.5) H56C(0.5)
5.a Ternary CH refined with riding coordinates:
 C8(H8), C11(H11), C22(H22), C25(H25)
5.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C15(H15A,H15B), C14A(H14C,H14D), C15A(H15C,H15D), C53(H53A,
 H53B), C54(H54A,H54B), C55(H55A,H55B)
5.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C30(H30), C31(H31), C32(H32), C36(H36), C38(H38),
 C45(H45), C47(H47), C18(H18), C19(H19), C20(H20), C30A(H30A), C31A(H31A),
 C32A(H32A), C36A(H36A), C38A(H38A), C45A(H45A), C47A(H47A)
5.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C49(H49A,
 H49B,H49C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C40A(H40D,H40E,
 H40F), C41A(H41D,H41E,H41F), C42A(H42D,H42E,H42F), C49A(H49D,H49E,H49F),
 C50A(H50D,H50E,H50F), C51A(H51D,H51E,H51F), C52(H52A,H52B,H52C), C56(H56A,H56B,
 H56C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     difmap
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
 C3 C 0.3236(5) 0.7086(6) 0.33505(14) 0.0347(13) Uani 1 1 d . U . . .
 C4 C 0.2310(5) 0.7393(6) 0.34940(15) 0.0370(13) Uani 1 1 d . U . . .
 H4 H 0.174729 0.678772 0.348797 0.044 Uiso 1 1 calc R U . . .
 C5 C 0.2202(5) 0.8557(6) 0.36438(16) 0.0395(14) Uani 1 1 d . U . . .
 H5 H 0.156297 0.876210 0.373746 0.047 Uiso 1 1 calc R U . . .
 C6 C 0.3021(5) 0.9428(6) 0.36582(17) 0.0416(14) Uani 1 1 d . U . . .
 H6 H 0.294220 1.022346 0.376745 0.050 Uiso 1 1 calc R U . . .
 C7 C 0.3958(5) 0.9183(6) 0.35189(16) 0.0390(13) Uani 1 1 d . U . . .
 C8 C 0.3325(5) 0.5761(6) 0.31959(16) 0.0413(14) Uani 1 1 d . U . . .
 H8 H 0.402004 0.572569 0.309748 0.050 Uiso 1 1 calc R U . . .
 C9 C 0.2435(6) 0.5527(8) 0.29024(18) 0.0541(18) Uani 1 1 d . U . . .
 H9A H 0.174327 0.551288 0.299225 0.081 Uiso 1 1 calc R U . . .
 H9B H 0.255411 0.470761 0.279385 0.081 Uiso 1 1 calc R U . . .
 H9C H 0.243866 0.621150 0.273322 0.081 Uiso 1 1 calc R U . . .
 C10 C 0.3355(6) 0.4744(7) 0.34636(18) 0.0470(16) Uani 1 1 d . U . . .
 H10A H 0.394699 0.491011 0.364296 0.070 Uiso 1 1 calc R U . . .
 H10B H 0.345644 0.391230 0.335931 0.070 Uiso 1 1 calc R U . . .
 H10C H 0.267937 0.474537 0.356370 0.070 Uiso 1 1 calc R U . . .
 C11 C 0.4842(5) 1.0179(7) 0.35341(18) 0.0462(15) Uani 1 1 d . U . . .
 H11 H 0.554006 0.971542 0.356414 0.055 Uiso 1 1 calc R U . . .
 C12 C 0.4787(6) 1.0930(8) 0.3198(2) 0.063(2) Uani 1 1 d . U . . .
 H12A H 0.489573 1.034804 0.301063 0.095 Uiso 1 1 calc R U . . .
 H12B H 0.534436 1.158522 0.321787 0.095 Uiso 1 1 calc R U . . .
 H12C H 0.408422 1.133574 0.315077 0.095 Uiso 1 1 calc R U . . .
 C13 C 0.4846(7) 1.1109(7) 0.3830(2) 0.063(2) Uani 1 1 d . U . . .
 H13A H 0.426135 1.172167 0.377995 0.094 Uiso 1 1 calc R U . . .
 H13B H 0.552906 1.156536 0.386183 0.094 Uiso 1 1 calc R U . . .
 H13C H 0.475009 1.064047 0.403953 0.094 Uiso 1 1 calc R U . . .
 C16 C 0.7800(4) 0.7728(6) 0.29556(14) 0.0307(12) Uani 1 1 d D U . . .
 C28 C 0.4047(5) 0.7999(6) 0.33591(14) 0.0340(12) Uani 1 1 d D U . . .
 Sn1 Sn 0.68094(15) 0.4152(2) 0.38323(4) 0.0293(3) Uani 0.742(11) 1 d D U P A
 1
 P1 P 0.6231(4) 0.7262(5) 0.33805(11) 0.0251(8) Uani 0.742(11) 1 d D U P A 1
 N1 N 0.5948(17) 0.4855(12) 0.3152(3) 0.041(2) Uani 0.742(11) 1 d D U P A 1
 N2 N 0.562(2) 0.4228(18) 0.2926(4) 0.044(4) Uani 0.742(11) 1 d D U P A 1
 N3 N 0.4985(6) 0.7687(8) 0.31924(19) 0.0309(16) Uani 0.742(11) 1 d D U P A 1
 N4 N 0.6700(5) 0.7471(11) 0.2994(2) 0.0265(15) Uani 0.742(11) 1 d D U P A 1
 C1 C 0.6300(12) 0.5485(9) 0.3437(3) 0.0367(16) Uani 0.742(11) 1 d D U P A 1
 C2 C 0.7505(7) 0.5283(13) 0.4263(3) 0.0339(18) Uani 0.742(11) 1 d D U P A 1
 C14 C 0.4848(7) 0.7621(10) 0.2814(2) 0.0336(18) Uani 0.742(11) 1 d D U P A 1
 H14A H 0.429624 0.823084 0.271530 0.040 Uiso 0.742(11) 1 calc R U P A 1
 H14B H 0.464162 0.675174 0.273424 0.040 Uiso 0.742(11) 1 calc R U P A 1
 C15 C 0.5936(7) 0.7975(10) 0.2717(2) 0.0326(19) Uani 0.742(11) 1 d D U P A 1
 H15A H 0.605088 0.758601 0.249564 0.039 Uiso 0.742(11) 1 calc R U P A 1
 H15B H 0.600735 0.891123 0.269954 0.039 Uiso 0.742(11) 1 calc R U P A 1
 C29 C 0.6898(7) 0.5771(14) 0.4508(3) 0.0405(18) Uani 0.742(11) 1 d D U P A 1
 C30 C 0.7409(8) 0.6419(11) 0.4799(2) 0.046(2) Uani 0.742(11) 1 d D U P A 1
 H30 H 0.699458 0.682726 0.495304 0.055 Uiso 0.742(11) 1 calc R U P A 1
 C31 C 0.8517(8) 0.6458(11) 0.4857(2) 0.049(2) Uani 0.742(11) 1 d D U P A 1
 H31 H 0.885791 0.684849 0.505845 0.059 Uiso 0.742(11) 1 calc R U P A 1
 C32 C 0.9130(8) 0.5930(10) 0.4622(2) 0.045(2) Uani 0.742(11) 1 d D U P A 1
 H32 H 0.988580 0.601368 0.465528 0.054 Uiso 0.742(11) 1 calc R U P A 1
 C33 C 0.8629(7) 0.5272(14) 0.4336(3) 0.0351(17) Uani 0.742(11) 1 d D U P A 1
 C34 C 0.5696(7) 0.5632(10) 0.4457(3) 0.0403(19) Uani 0.742(11) 1 d D U P A 1
 C35 C 0.5057(8) 0.6695(10) 0.4347(4) 0.041(2) Uani 0.742(11) 1 d D U P A 1
 C36 C 0.3947(8) 0.6539(11) 0.4300(3) 0.044(2) Uani 0.742(11) 1 d D U P A 1
 H36 H 0.350888 0.724573 0.422576 0.053 Uiso 0.742(11) 1 calc R U P A 1
 C37 C 0.3463(8) 0.5368(11) 0.4358(3) 0.046(2) Uani 0.742(11) 1 d D U P A 1
 C38 C 0.4127(7) 0.4378(11) 0.4457(2) 0.043(2) Uani 0.742(11) 1 d D U P A 1
 H38 H 0.381111 0.356954 0.448570 0.052 Uiso 0.742(11) 1 calc R U P A 1
 C39 C 0.5233(8) 0.4464(10) 0.4518(3) 0.040(2) Uani 0.742(11) 1 d D U P A 1
 C40 C 0.5543(11) 0.7983(12) 0.4274(3) 0.049(3) Uani 0.742(11) 1 d D U P A 1
 H40A H 0.497225 0.857871 0.419060 0.073 Uiso 0.742(11) 1 calc R U P A 1
 H40B H 0.603228 0.788012 0.410093 0.073 Uiso 0.742(11) 1 calc R U P A 1
 H40C H 0.593671 0.831847 0.448530 0.073 Uiso 0.742(11) 1 calc R U P A 1
 C41 C 0.2275(8) 0.5267(14) 0.4311(3) 0.056(3) Uani 0.742(11) 1 d D U P A 1
 H41A H 0.199839 0.545031 0.452771 0.085 Uiso 0.742(11) 1 calc R U P A 1
 H41B H 0.206543 0.440341 0.423560 0.085 Uiso 0.742(11) 1 calc R U P A 1
 H41C H 0.197903 0.588242 0.413730 0.085 Uiso 0.742(11) 1 calc R U P A 1
 C42 C 0.5875(10) 0.3355(12) 0.4660(3) 0.045(3) Uani 0.742(11) 1 d D U P A 1
 H42A H 0.577305 0.323849 0.490130 0.068 Uiso 0.742(11) 1 calc R U P A 1
 H42B H 0.663274 0.351107 0.464238 0.068 Uiso 0.742(11) 1 calc R U P A 1
 H42C H 0.564217 0.258656 0.453127 0.068 Uiso 0.742(11) 1 calc R U P A 1
 C43 C 0.9258(13) 0.4620(11) 0.4085(3) 0.0330(15) Uani 0.742(11) 1 d D U P A 1
 C44 C 0.9485(13) 0.3312(11) 0.4117(3) 0.0405(19) Uani 0.742(11) 1 d D U P A 1
 C45 C 1.0015(10) 0.2711(10) 0.3874(3) 0.042(2) Uani 0.742(11) 1 d D U P A 1
 H45 H 1.017398 0.182939 0.390038 0.050 Uiso 0.742(11) 1 calc R U P A 1
 C46 C 1.0314(10) 0.3326(9) 0.3603(3) 0.037(2) Uani 0.742(11) 1 d D U P A 1
 C47 C 1.0088(14) 0.4610(10) 0.3564(3) 0.0355(19) Uani 0.742(11) 1 d D U P A 1
 H47 H 1.028630 0.504741 0.336987 0.043 Uiso 0.742(11) 1 calc R U P A 1
 C48 C 0.957(3) 0.5281(13) 0.3804(6) 0.0329(19) Uani 0.742(11) 1 d D U P A 1
 C49 C 0.9101(14) 0.2530(12) 0.4401(3) 0.051(3) Uani 0.742(11) 1 d D U P A 1
 H49A H 0.930953 0.295042 0.462067 0.077 Uiso 0.742(11) 1 calc R U P A 1
 H49B H 0.942355 0.167962 0.440340 0.077 Uiso 0.742(11) 1 calc R U P A 1
 H49C H 0.832111 0.245223 0.436170 0.077 Uiso 0.742(11) 1 calc R U P A 1
 C50 C 1.0866(11) 0.2638(12) 0.3329(3) 0.054(3) Uani 0.742(11) 1 d D U P A 1
 H50A H 1.107171 0.177848 0.340825 0.080 Uiso 0.742(11) 1 calc R U P A 1
 H50B H 1.150558 0.311478 0.328599 0.080 Uiso 0.742(11) 1 calc R U P A 1
 H50C H 1.037451 0.258279 0.311671 0.080 Uiso 0.742(11) 1 calc R U P A 1
 C51 C 0.9394(13) 0.6679(10) 0.3763(4) 0.032(3) Uani 0.742(11) 1 d D U P A 1
 H51A H 0.863079 0.686535 0.376059 0.048 Uiso 0.742(11) 1 calc R U P A 1
 H51B H 0.963207 0.696224 0.354759 0.048 Uiso 0.742(11) 1 calc R U P A 1
 H51C H 0.979966 0.713014 0.395441 0.048 Uiso 0.742(11) 1 calc R U P A 1
 C17 C 0.8357(5) 0.6812(6) 0.27825(14) 0.0316(12) Uani 1 1 d . U . . .
 C18 C 0.9452(5) 0.7018(6) 0.27607(14) 0.0347(13) Uani 1 1 d . U . . .
 H18 H 0.984565 0.641199 0.264781 0.042 Uiso 1 1 calc R U . . .
 C19 C 0.9955(5) 0.8094(6) 0.29021(15) 0.0376(13) Uani 1 1 d . U . . .
 H19 H 1.069529 0.821641 0.288742 0.045 Uiso 1 1 calc R U . . .
 C20 C 0.9395(5) 0.9000(6) 0.30655(15) 0.0365(13) Uani 1 1 d . U . . .
 H20 H 0.975271 0.974008 0.315917 0.044 Uiso 1 1 calc R U . . .
 C21 C 0.8310(5) 0.8833(5) 0.30933(14) 0.0309(12) Uani 1 1 d . U . . .
 C22 C 0.7818(5) 0.5643(6) 0.26148(14) 0.0340(13) Uani 1 1 d . U . . .
 H22 H 0.703575 0.570410 0.263459 0.041 Uiso 1 1 calc R U . . .
 C23 C 0.7958(5) 0.5588(6) 0.22332(15) 0.0377(14) Uani 1 1 d . U . . .
 H23A H 0.766528 0.636528 0.211992 0.056 Uiso 1 1 calc R U . . .
 H23B H 0.757874 0.484463 0.212864 0.056 Uiso 1 1 calc R U . . .
 H23C H 0.871960 0.552071 0.220748 0.056 Uiso 1 1 calc R U . . .
 C24 C 0.8238(6) 0.4415(6) 0.27928(16) 0.0422(15) Uani 1 1 d . U . . .
 H24A H 0.899874 0.431712 0.276864 0.063 Uiso 1 1 calc R U . . .
 H24B H 0.784073 0.368504 0.268763 0.063 Uiso 1 1 calc R U . . .
 H24C H 0.814484 0.445798 0.303601 0.063 Uiso 1 1 calc R U . . .
 C25 C 0.7721(5) 0.9852(5) 0.32741(14) 0.0339(13) Uani 1 1 d . U . . .
 H25 H 0.694415 0.962970 0.324363 0.041 Uiso 1 1 calc R U . . .
 C26 C 0.7844(6) 1.1182(6) 0.31125(17) 0.0440(16) Uani 1 1 d . U . . .
 H26A H 0.859520 1.144251 0.314887 0.066 Uiso 1 1 calc R U . . .
 H26B H 0.740811 1.180306 0.321986 0.066 Uiso 1 1 calc R U . . .
 H26C H 0.760478 1.114209 0.286657 0.066 Uiso 1 1 calc R U . . .
 C27 C 0.8094(5) 0.9886(6) 0.36571(16) 0.0429(15) Uani 1 1 d . U . . .
 H27A H 0.788295 0.909490 0.376287 0.064 Uiso 1 1 calc R U . . .
 H27B H 0.776422 1.061312 0.376039 0.064 Uiso 1 1 calc R U . . .
 H27C H 0.887300 0.997278 0.369407 0.064 Uiso 1 1 calc R U . . .
 Sn1A Sn 0.6734(5) 0.4585(13) 0.38316(14) 0.0516(14) Uani 0.258(11) 1 d D U P A
 2
 P1A P 0.6099(11) 0.7301(17) 0.3299(4) 0.032(2) Uani 0.258(11) 1 d D U P A 2
 N1A N 0.580(5) 0.485(3) 0.3135(9) 0.040(3) Uani 0.258(11) 1 d D U P A 2
 N2A N 0.551(7) 0.443(6) 0.2871(12) 0.042(6) Uani 0.258(11) 1 d D U P A 2
 N3A N 0.4937(14) 0.800(3) 0.3153(5) 0.031(2) Uani 0.258(11) 1 d D U P A 2
 N4A N 0.6648(11) 0.760(3) 0.2937(6) 0.027(2) Uani 0.258(11) 1 d D U P A 2
 C1A C 0.620(4) 0.561(2) 0.3394(6) 0.034(3) Uani 0.258(11) 1 d D U P A 2
 C2A C 0.7523(18) 0.547(4) 0.4274(6) 0.034(3) Uani 0.258(11) 1 d D U P A 2
 C14A C 0.4797(16) 0.811(3) 0.2778(5) 0.032(3) Uani 0.258(11) 1 d D U P A 2
 H14C H 0.432515 0.883979 0.270337 0.038 Uiso 0.258(11) 1 calc R U P A 2
 H14D H 0.448946 0.732403 0.266942 0.038 Uiso 0.258(11) 1 calc R U P A 2
 C15A C 0.5935(16) 0.834(3) 0.2689(6) 0.029(3) Uani 0.258(11) 1 d D U P A 2
 H15C H 0.599859 0.804987 0.245333 0.035 Uiso 0.258(11) 1 calc R U P A 2
 H15D H 0.611858 0.925498 0.270737 0.035 Uiso 0.258(11) 1 calc R U P A 2
 C29A C 0.6975(17) 0.596(4) 0.4537(7) 0.040(2) Uani 0.258(11) 1 d D U P A 2
 C30A C 0.752(2) 0.602(3) 0.4872(6) 0.044(3) Uani 0.258(11) 1 d D U P A 2
 H30A H 0.712453 0.609670 0.506093 0.053 Uiso 0.258(11) 1 calc R U P A 2
 C31A C 0.863(2) 0.596(3) 0.4928(6) 0.046(3) Uani 0.258(11) 1 d D U P A 2
 H31A H 0.899569 0.620376 0.514341 0.055 Uiso 0.258(11) 1 calc R U P A 2
 C32A C 0.920(2) 0.554(3) 0.4670(6) 0.041(3) Uani 0.258(11) 1 d D U P A 2
 H32A H 0.994173 0.535845 0.471461 0.049 Uiso 0.258(11) 1 calc R U P A 2
 C33A C 0.8648(18) 0.541(4) 0.4340(7) 0.036(2) Uani 0.258(11) 1 d D U P A 2
 C34A C 0.5767(17) 0.590(3) 0.4484(10) 0.040(2) Uani 0.258(11) 1 d D U P A 2
 C35A C 0.521(2) 0.700(3) 0.4359(12) 0.042(3) Uani 0.258(11) 1 d D U P A 2
 C36A C 0.410(2) 0.693(3) 0.4312(10) 0.043(3) Uani 0.258(11) 1 d D U P A 2
 H36A H 0.370937 0.767639 0.423417 0.052 Uiso 0.258(11) 1 calc R U P A 2
 C37A C 0.3517(19) 0.583(3) 0.4374(10) 0.044(3) Uani 0.258(11) 1 d D U P A 2
 C38A C 0.4115(19) 0.485(3) 0.4517(8) 0.044(3) Uani 0.258(11) 1 d D U P A 2
 H38A H 0.374555 0.413317 0.459419 0.053 Uiso 0.258(11) 1 calc R U P A 2
 C39A C 0.5223(19) 0.481(3) 0.4560(10) 0.043(3) Uani 0.258(11) 1 d D U P A 2
 C40A C 0.584(3) 0.822(3) 0.4324(12) 0.053(6) Uani 0.258(11) 1 d D U P A 2
 H40D H 0.622955 0.844528 0.454681 0.080 Uiso 0.258(11) 1 calc R U P A 2
 H40E H 0.535190 0.890868 0.424459 0.080 Uiso 0.258(11) 1 calc R U P A 2
 H40F H 0.635375 0.808384 0.415876 0.080 Uiso 0.258(11) 1 calc R U P A 2
 C41A C 0.2324(19) 0.586(4) 0.4357(11) 0.055(6) Uani 0.258(11) 1 d D U P A 2
 H41D H 0.210793 0.551089 0.456837 0.083 Uiso 0.258(11) 1 calc R U P A 2
 H41E H 0.200916 0.535661 0.416150 0.083 Uiso 0.258(11) 1 calc R U P A 2
 H41F H 0.207577 0.674715 0.432947 0.083 Uiso 0.258(11) 1 calc R U P A 2
 C42A C 0.581(3) 0.372(3) 0.4736(9) 0.050(6) Uani 0.258(11) 1 d D U P A 2
 H42D H 0.622118 0.328185 0.457657 0.075 Uiso 0.258(11) 1 calc R U P A 2
 H42E H 0.529559 0.312778 0.481840 0.075 Uiso 0.258(11) 1 calc R U P A 2
 H42F H 0.629242 0.404129 0.493097 0.075 Uiso 0.258(11) 1 calc R U P A 2
 C43A C 0.919(4) 0.461(3) 0.4094(9) 0.034(2) Uani 0.258(11) 1 d D U P A 2
 C44A C 0.938(4) 0.333(3) 0.4183(9) 0.037(3) Uani 0.258(11) 1 d D U P A 2
 C45A C 0.997(3) 0.263(3) 0.3983(8) 0.039(3) Uani 0.258(11) 1 d D U P A 2
 H45A H 1.016140 0.177850 0.404800 0.046 Uiso 0.258(11) 1 calc R U P A 2
 C46A C 1.031(3) 0.310(3) 0.3698(8) 0.039(3) Uani 0.258(11) 1 d D U P A 2
 C47A C 1.011(4) 0.436(3) 0.3606(10) 0.035(3) Uani 0.258(11) 1 d D U P A 2
 H47A H 1.035806 0.469218 0.340567 0.042 Uiso 0.258(11) 1 calc R U P A 2
 C48A C 0.955(8) 0.516(4) 0.3807(17) 0.034(3) Uani 0.258(11) 1 d D U P A 2
 C49A C 0.902(4) 0.279(4) 0.4506(8) 0.038(6) Uani 0.258(11) 1 d D U P A 2
 H49D H 0.903026 0.346184 0.467892 0.057 Uiso 0.258(11) 1 calc R U P A 2
 H49E H 0.950087 0.209967 0.459218 0.057 Uiso 0.258(11) 1 calc R U P A 2
 H49F H 0.828985 0.245537 0.445599 0.057 Uiso 0.258(11) 1 calc R U P A 2
 C50A C 1.097(3) 0.233(3) 0.3469(9) 0.047(6) Uani 0.258(11) 1 d D U P A 2
 H50D H 1.172051 0.236049 0.356392 0.071 Uiso 0.258(11) 1 calc R U P A 2
 H50E H 1.088058 0.269608 0.323859 0.071 Uiso 0.258(11) 1 calc R U P A 2
 H50F H 1.071917 0.144540 0.345913 0.071 Uiso 0.258(11) 1 calc R U P A 2
 C51A C 0.924(4) 0.649(3) 0.3709(12) 0.033(6) Uani 0.258(11) 1 d D U P A 2
 H51D H 0.846253 0.658583 0.370634 0.050 Uiso 0.258(11) 1 calc R U P A 2
 H51E H 0.943617 0.667204 0.348128 0.050 Uiso 0.258(11) 1 calc R U P A 2
 H51F H 0.960601 0.708047 0.387560 0.050 Uiso 0.258(11) 1 calc R U P A 2
 C52 C 0.6612(16) 0.9651(18) 0.5247(6) 0.120(7) Uani 0.5 1 d D U P B -1
 H52A H 0.594040 1.002122 0.514005 0.179 Uiso 0.5 1 calc R U P B -1
 H52B H 0.656681 0.950931 0.549106 0.179 Uiso 0.5 1 calc R U P B -1
 H52C H 0.673977 0.883780 0.513702 0.179 Uiso 0.5 1 calc R U P B -1
 C53 C 0.7537(15) 1.0570(16) 0.5206(5) 0.116(6) Uani 0.5 1 d D U P B -1
 H53A H 0.766636 1.059711 0.496314 0.140 Uiso 0.5 1 calc R U P B -1
 H53B H 0.734348 1.143962 0.527442 0.140 Uiso 0.5 1 calc R U P B -1
 C54 C 0.8552(15) 1.0138(16) 0.5427(5) 0.124(6) Uani 0.5 1 d D U P B -1
 H54A H 0.839297 0.994029 0.566165 0.149 Uiso 0.5 1 calc R U P B -1
 H54B H 0.884100 0.936142 0.532913 0.149 Uiso 0.5 1 calc R U P B -1
 C55 C 0.9361(17) 1.1212(17) 0.5437(7) 0.133(7) Uani 0.5 1 d D U P B -1
 H55A H 0.922860 1.168308 0.521788 0.160 Uiso 0.5 1 calc R U P B -1
 H55B H 0.921867 1.180801 0.562076 0.160 Uiso 0.5 1 calc R U P B -1
 C56 C 1.0532(17) 1.086(2) 0.5492(8) 0.169(10) Uani 0.5 1 d D U P B -1
 H56A H 1.073493 1.045312 0.528582 0.254 Uiso 0.5 1 calc R U P B -1
 H56B H 1.066099 1.027294 0.568583 0.254 Uiso 0.5 1 calc R U P B -1
 H56C H 1.096081 1.163454 0.554119 0.254 Uiso 0.5 1 calc R U P B -1


_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
 C3 C4 1.394(8) . ?
 C3 C8 1.528(9) . ?
 C3 C28 1.398(8) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.371(9) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.375(9) . ?
 C6 H6 0.9500 . ?
 C6 C7 1.385(9) . ?
 C7 C11 1.523(9) . ?
 C7 C28 1.404(9) . ?
 C8 H8 1.0000 . ?
 C8 C9 1.531(9) . ?
 C8 C10 1.497(10) . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11 1.0000 . ?
 C11 C12 1.535(10) . ?
 C11 C13 1.520(11) . ?
 C12 H12A 0.9800 . ?
 C12 H12B 0.9800 . ?
 C12 H12C 0.9800 . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C16 N4 1.438(8) . ?
 C16 C17 1.413(8) . ?
 C16 C21 1.404(8) . ?
 C16 N4A 1.452(15) . ?
 C28 N3 1.457(8) . ?
 C28 N3A 1.461(15) . ?
 Sn1 C1 2.134(8) . ?
 Sn1 C2 2.168(8) . ?
 P1 N3 1.714(7) . ?
 P1 N4 1.713(7) . ?
 P1 C1 1.879(8) . ?
 N1 N2 1.145(10) . ?
 N1 C1 1.331(10) . ?
 N3 C14 1.480(9) . ?
 N4 C15 1.463(9) . ?
 C2 C29 1.400(10) . ?
 C2 C33 1.412(10) . ?
 C14 H14A 0.9900 . ?
 C14 H14B 0.9900 . ?
 C14 C15 1.513(10) . ?
 C15 H15A 0.9900 . ?
 C15 H15B 0.9900 . ?
 C29 C30 1.417(11) . ?
 C29 C34 1.511(10) . ?
 C30 H30 0.9500 . ?
 C30 C31 1.388(12) . ?
 C31 H31 0.9500 . ?
 C31 C32 1.388(11) . ?
 C32 H32 0.9500 . ?
 C32 C33 1.406(11) . ?
 C33 C43 1.504(10) . ?
 C34 C35 1.413(11) . ?
 C34 C39 1.391(11) . ?
 C35 C36 1.398(11) . ?
 C35 C40 1.526(13) . ?
 C36 H36 0.9500 . ?
 C36 C37 1.404(13) . ?
 C37 C38 1.361(13) . ?
 C37 C41 1.490(12) . ?
 C38 H38 0.9500 . ?
 C38 C39 1.389(11) . ?
 C39 C42 1.488(12) . ?
 C40 H40A 0.9800 . ?
 C40 H40B 0.9800 . ?
 C40 H40C 0.9800 . ?
 C41 H41A 0.9800 . ?
 C41 H41B 0.9800 . ?
 C41 H41C 0.9800 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C43 C44 1.405(10) . ?
 C43 C48 1.402(9) . ?
 C44 C45 1.383(12) . ?
 C44 C49 1.512(12) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.340(12) . ?
 C46 C47 1.383(11) . ?
 C46 C50 1.533(11) . ?
 C47 H47 0.9500 . ?
 C47 C48 1.399(10) . ?
 C48 C51 1.491(11) . ?
 C49 H49A 0.9800 . ?
 C49 H49B 0.9800 . ?
 C49 H49C 0.9800 . ?
 C50 H50A 0.9800 . ?
 C50 H50B 0.9800 . ?
 C50 H50C 0.9800 . ?
 C51 H51A 0.9800 . ?
 C51 H51B 0.9800 . ?
 C51 H51C 0.9800 . ?
 C17 C18 1.410(8) . ?
 C17 C22 1.515(8) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.380(9) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.388(9) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.396(8) . ?
 C21 C25 1.526(8) . ?
 C22 H22 1.0000 . ?
 C22 C23 1.535(8) . ?
 C22 C24 1.531(9) . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C25 H25 1.0000 . ?
 C25 C26 1.550(8) . ?
 C25 C27 1.525(8) . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 Sn1A C1A 2.072(15) . ?
 Sn1A C2A 2.114(15) . ?
 P1A N3A 1.675(15) . ?
 P1A N4A 1.686(15) . ?
 P1A C1A 1.819(15) . ?
 N1A N2A 1.148(17) . ?
 N1A C1A 1.343(16) . ?
 N3A C14A 1.471(16) . ?
 N4A C15A 1.467(17) . ?
 C2A C29A 1.409(16) . ?
 C2A C33A 1.412(16) . ?
 C14A H14C 0.9900 . ?
 C14A H14D 0.9900 . ?
 C14A C15A 1.535(17) . ?
 C15A H15C 0.9900 . ?
 C15A H15D 0.9900 . ?
 C29A C30A 1.411(18) . ?
 C29A C34A 1.513(16) . ?
 C30A H30A 0.9500 . ?
 C30A C31A 1.391(18) . ?
 C31A H31A 0.9500 . ?
 C31A C32A 1.383(18) . ?
 C32A H32A 0.9500 . ?
 C32A C33A 1.407(18) . ?
 C33A C43A 1.506(16) . ?
 C34A C35A 1.410(17) . ?
 C34A C39A 1.386(18) . ?
 C35A C36A 1.395(18) . ?
 C35A C40A 1.52(2) . ?
 C36A H36A 0.9500 . ?
 C36A C37A 1.41(2) . ?
 C37A C38A 1.361(19) . ?
 C37A C41A 1.497(18) . ?
 C38A H38A 0.9500 . ?
 C38A C39A 1.388(17) . ?
 C39A C42A 1.483(19) . ?
 C40A H40D 0.9800 . ?
 C40A H40E 0.9800 . ?
 C40A H40F 0.9800 . ?
 C41A H41D 0.9800 . ?
 C41A H41E 0.9800 . ?
 C41A H41F 0.9800 . ?
 C42A H42D 0.9800 . ?
 C42A H42E 0.9800 . ?
 C42A H42F 0.9800 . ?
 C43A C44A 1.399(16) . ?
 C43A C48A 1.394(16) . ?
 C44A C45A 1.371(18) . ?
 C44A C49A 1.508(18) . ?
 C45A H45A 0.9500 . ?
 C45A C46A 1.338(19) . ?
 C46A C47A 1.388(19) . ?
 C46A C50A 1.526(18) . ?
 C47A H47A 0.9500 . ?
 C47A C48A 1.396(16) . ?
 C48A C51A 1.490(18) . ?
 C49A H49D 0.9800 . ?
 C49A H49E 0.9800 . ?
 C49A H49F 0.9800 . ?
 C50A H50D 0.9800 . ?
 C50A H50E 0.9800 . ?
 C50A H50F 0.9800 . ?
 C51A H51D 0.9800 . ?
 C51A H51E 0.9800 . ?
 C51A H51F 0.9800 . ?
 C52 H52A 0.9800 . ?
 C52 H52B 0.9800 . ?
 C52 H52C 0.9800 . ?
 C52 C53 1.536(10) . ?
 C53 H53A 0.9900 . ?
 C53 H53B 0.9900 . ?
 C53 C54 1.528(10) . ?
 C54 H54A 0.9900 . ?
 C54 H54B 0.9900 . ?
 C54 C55 1.517(10) . ?
 C55 H55A 0.9900 . ?
 C55 H55B 0.9900 . ?
 C55 C56 1.512(10) . ?
 C56 H56A 0.9800 . ?
 C56 H56B 0.9800 . ?
 C56 H56C 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
 C4 C3 C8 118.5(5) . . ?
 C4 C3 C28 118.5(6) . . ?
 C28 C3 C8 123.0(5) . . ?
 C3 C4 H4 119.6 . . ?
 C5 C4 C3 120.7(6) . . ?
 C5 C4 H4 119.6 . . ?
 C4 C5 H5 120.1 . . ?
 C4 C5 C6 119.8(6) . . ?
 C6 C5 H5 120.1 . . ?
 C5 C6 H6 118.9 . . ?
 C5 C6 C7 122.2(6) . . ?
 C7 C6 H6 118.9 . . ?
 C6 C7 C11 120.8(6) . . ?
 C6 C7 C28 117.4(6) . . ?
 C28 C7 C11 121.9(6) . . ?
 C3 C8 H8 107.3 . . ?
 C3 C8 C9 111.3(6) . . ?
 C9 C8 H8 107.3 . . ?
 C10 C8 C3 111.4(5) . . ?
 C10 C8 H8 107.3 . . ?
 C10 C8 C9 111.8(6) . . ?
 C8 C9 H9A 109.5 . . ?
 C8 C9 H9B 109.5 . . ?
 C8 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C8 C10 H10A 109.5 . . ?
 C8 C10 H10B 109.5 . . ?
 C8 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C7 C11 H11 107.5 . . ?
 C7 C11 C12 111.1(6) . . ?
 C12 C11 H11 107.5 . . ?
 C13 C11 C7 114.0(6) . . ?
 C13 C11 H11 107.5 . . ?
 C13 C11 C12 109.1(6) . . ?
 C11 C12 H12A 109.5 . . ?
 C11 C12 H12B 109.5 . . ?
 C11 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C11 C13 H13A 109.5 . . ?
 C11 C13 H13B 109.5 . . ?
 C11 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C17 C16 N4 117.6(7) . . ?
 C17 C16 N4A 117.5(16) . . ?
 C21 C16 N4 121.2(7) . . ?
 C21 C16 C17 121.2(5) . . ?
 C21 C16 N4A 120.5(16) . . ?
 C3 C28 C7 121.3(5) . . ?
 C3 C28 N3 117.8(6) . . ?
 C3 C28 N3A 126.4(13) . . ?
 C7 C28 N3 120.9(6) . . ?
 C7 C28 N3A 111.0(13) . . ?
 C1 Sn1 C2 105.6(5) . . ?
 N3 P1 C1 109.7(5) . . ?
 N4 P1 N3 88.7(3) . . ?
 N4 P1 C1 102.5(5) . . ?
 N2 N1 C1 174.0(18) . . ?
 C28 N3 P1 128.0(6) . . ?
 C28 N3 C14 117.5(6) . . ?
 C14 N3 P1 114.4(5) . . ?
 C16 N4 P1 123.8(6) . . ?
 C16 N4 C15 114.3(6) . . ?
 C15 N4 P1 116.2(5) . . ?
 P1 C1 Sn1 138.0(5) . . ?
 N1 C1 Sn1 109.2(7) . . ?
 N1 C1 P1 112.8(7) . . ?
 C29 C2 Sn1 122.5(6) . . ?
 C29 C2 C33 118.8(7) . . ?
 C33 C2 Sn1 117.1(6) . . ?
 N3 C14 H14A 110.9 . . ?
 N3 C14 H14B 110.9 . . ?
 N3 C14 C15 104.0(6) . . ?
 H14A C14 H14B 109.0 . . ?
 C15 C14 H14A 110.9 . . ?
 C15 C14 H14B 110.9 . . ?
 N4 C15 C14 105.0(6) . . ?
 N4 C15 H15A 110.7 . . ?
 N4 C15 H15B 110.7 . . ?
 C14 C15 H15A 110.7 . . ?
 C14 C15 H15B 110.7 . . ?
 H15A C15 H15B 108.8 . . ?
 C2 C29 C30 119.9(7) . . ?
 C2 C29 C34 119.6(7) . . ?
 C30 C29 C34 120.4(8) . . ?
 C29 C30 H30 120.1 . . ?
 C31 C30 C29 119.9(8) . . ?
 C31 C30 H30 120.1 . . ?
 C30 C31 H31 119.7 . . ?
 C30 C31 C32 120.5(8) . . ?
 C32 C31 H31 119.7 . . ?
 C31 C32 H32 120.1 . . ?
 C31 C32 C33 119.8(8) . . ?
 C33 C32 H32 120.1 . . ?
 C2 C33 C43 117.8(8) . . ?
 C32 C33 C2 120.1(8) . . ?
 C32 C33 C43 121.9(9) . . ?
 C35 C34 C29 119.3(8) . . ?
 C39 C34 C29 119.8(8) . . ?
 C39 C34 C35 120.9(8) . . ?
 C34 C35 C40 122.0(8) . . ?
 C36 C35 C34 118.2(8) . . ?
 C36 C35 C40 119.8(9) . . ?
 C35 C36 H36 119.0 . . ?
 C35 C36 C37 121.9(9) . . ?
 C37 C36 H36 119.0 . . ?
 C36 C37 C41 119.5(9) . . ?
 C38 C37 C36 116.7(8) . . ?
 C38 C37 C41 123.8(10) . . ?
 C37 C38 H38 117.6 . . ?
 C37 C38 C39 124.8(9) . . ?
 C39 C38 H38 117.6 . . ?
 C34 C39 C42 122.3(8) . . ?
 C38 C39 C34 117.4(9) . . ?
 C38 C39 C42 120.3(9) . . ?
 C35 C40 H40A 109.5 . . ?
 C35 C40 H40B 109.5 . . ?
 C35 C40 H40C 109.5 . . ?
 H40A C40 H40B 109.5 . . ?
 H40A C40 H40C 109.5 . . ?
 H40B C40 H40C 109.5 . . ?
 C37 C41 H41A 109.5 . . ?
 C37 C41 H41B 109.5 . . ?
 C37 C41 H41C 109.5 . . ?
 H41A C41 H41B 109.5 . . ?
 H41A C41 H41C 109.5 . . ?
 H41B C41 H41C 109.5 . . ?
 C39 C42 H42A 109.5 . . ?
 C39 C42 H42B 109.5 . . ?
 C39 C42 H42C 109.5 . . ?
 H42A C42 H42B 109.5 . . ?
 H42A C42 H42C 109.5 . . ?
 H42B C42 H42C 109.5 . . ?
 C44 C43 C33 120.2(8) . . ?
 C48 C43 C33 120.9(8) . . ?
 C48 C43 C44 118.7(7) . . ?
 C43 C44 C49 121.2(8) . . ?
 C45 C44 C43 119.5(8) . . ?
 C45 C44 C49 119.2(9) . . ?
 C44 C45 H45 118.7 . . ?
 C46 C45 C44 122.5(8) . . ?
 C46 C45 H45 118.7 . . ?
 C45 C46 C47 118.9(8) . . ?
 C45 C46 C50 122.0(9) . . ?
 C47 C46 C50 119.1(9) . . ?
 C46 C47 H47 119.3 . . ?
 C46 C47 C48 121.4(8) . . ?
 C48 C47 H47 119.3 . . ?
 C43 C48 C51 121.2(8) . . ?
 C47 C48 C43 118.8(8) . . ?
 C47 C48 C51 119.9(8) . . ?
 C44 C49 H49A 109.5 . . ?
 C44 C49 H49B 109.5 . . ?
 C44 C49 H49C 109.5 . . ?
 H49A C49 H49B 109.5 . . ?
 H49A C49 H49C 109.5 . . ?
 H49B C49 H49C 109.5 . . ?
 C46 C50 H50A 109.5 . . ?
 C46 C50 H50B 109.5 . . ?
 C46 C50 H50C 109.5 . . ?
 H50A C50 H50B 109.5 . . ?
 H50A C50 H50C 109.5 . . ?
 H50B C50 H50C 109.5 . . ?
 C48 C51 H51A 109.5 . . ?
 C48 C51 H51B 109.5 . . ?
 C48 C51 H51C 109.5 . . ?
 H51A C51 H51B 109.5 . . ?
 H51A C51 H51C 109.5 . . ?
 H51B C51 H51C 109.5 . . ?
 C16 C17 C22 122.6(5) . . ?
 C18 C17 C16 118.1(5) . . ?
 C18 C17 C22 119.3(5) . . ?
 C17 C18 H18 119.7 . . ?
 C19 C18 C17 120.5(6) . . ?
 C19 C18 H18 119.7 . . ?
 C18 C19 H19 119.6 . . ?
 C18 C19 C20 120.8(6) . . ?
 C20 C19 H19 119.6 . . ?
 C19 C20 H20 119.7 . . ?
 C19 C20 C21 120.6(6) . . ?
 C21 C20 H20 119.7 . . ?
 C16 C21 C25 122.2(5) . . ?
 C20 C21 C16 118.8(5) . . ?
 C20 C21 C25 119.0(5) . . ?
 C17 C22 H22 108.0 . . ?
 C17 C22 C23 111.0(5) . . ?
 C17 C22 C24 111.7(5) . . ?
 C23 C22 H22 108.0 . . ?
 C24 C22 H22 108.0 . . ?
 C24 C22 C23 110.0(5) . . ?
 C22 C23 H23A 109.5 . . ?
 C22 C23 H23B 109.5 . . ?
 C22 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C22 C24 H24A 109.5 . . ?
 C22 C24 H24B 109.5 . . ?
 C22 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C21 C25 H25 107.8 . . ?
 C21 C25 C26 111.2(5) . . ?
 C26 C25 H25 107.8 . . ?
 C27 C25 C21 111.6(5) . . ?
 C27 C25 H25 107.8 . . ?
 C27 C25 C26 110.5(5) . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C25 C27 H27A 109.5 . . ?
 C25 C27 H27B 109.5 . . ?
 C25 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C1A Sn1A C2A 122.1(14) . . ?
 N3A P1A N4A 93.5(9) . . ?
 N3A P1A C1A 122.2(16) . . ?
 N4A P1A C1A 109.2(15) . . ?
 N2A N1A C1A 165(5) . . ?
 C28 N3A P1A 120.6(13) . . ?
 C28 N3A C14A 123.4(15) . . ?
 C14A N3A P1A 112.0(12) . . ?
 C16 N4A P1A 118.9(14) . . ?
 C16 N4A C15A 120.8(17) . . ?
 C15A N4A P1A 112.2(13) . . ?
 P1A C1A Sn1A 133.3(13) . . ?
 N1A C1A Sn1A 112.3(17) . . ?
 N1A C1A P1A 114.4(17) . . ?
 C29A C2A Sn1A 122.8(14) . . ?
 C29A C2A C33A 116.7(14) . . ?
 C33A C2A Sn1A 119.7(14) . . ?
 N3A C14A H14C 111.0 . . ?
 N3A C14A H14D 111.0 . . ?
 N3A C14A C15A 103.8(14) . . ?
 H14C C14A H14D 109.0 . . ?
 C15A C14A H14C 111.0 . . ?
 C15A C14A H14D 111.0 . . ?
 N4A C15A C14A 106.3(14) . . ?
 N4A C15A H15C 110.5 . . ?
 N4A C15A H15D 110.5 . . ?
 C14A C15A H15C 110.5 . . ?
 C14A C15A H15D 110.5 . . ?
 H15C C15A H15D 108.7 . . ?
 C2A C29A C30A 118.4(18) . . ?
 C2A C29A C34A 117.2(18) . . ?
 C30A C29A C34A 120.1(19) . . ?
 C29A C30A H30A 119.5 . . ?
 C31A C30A C29A 121.1(18) . . ?
 C31A C30A H30A 119.5 . . ?
 C30A C31A H31A 120.1 . . ?
 C32A C31A C30A 119.8(18) . . ?
 C32A C31A H31A 120.1 . . ?
 C31A C32A H32A 121.1 . . ?
 C31A C32A C33A 117.9(18) . . ?
 C33A C32A H32A 121.1 . . ?
 C2A C33A C43A 115(2) . . ?
 C32A C33A C2A 122.8(18) . . ?
 C32A C33A C43A 116(2) . . ?
 C35A C34A C29A 117.8(18) . . ?
 C39A C34A C29A 121.2(18) . . ?
 C39A C34A C35A 120.9(16) . . ?
 C34A C35A C40A 118.4(19) . . ?
 C36A C35A C34A 117.2(18) . . ?
 C36A C35A C40A 124(2) . . ?
 C35A C36A H36A 118.2 . . ?
 C35A C36A C37A 123.5(19) . . ?
 C37A C36A H36A 118.2 . . ?
 C36A C37A C41A 121(2) . . ?
 C38A C37A C36A 115.1(17) . . ?
 C38A C37A C41A 123(2) . . ?
 C37A C38A H38A 117.5 . . ?
 C37A C38A C39A 124.9(19) . . ?
 C39A C38A H38A 117.5 . . ?
 C34A C39A C38A 117.8(17) . . ?
 C34A C39A C42A 120.3(19) . . ?
 C38A C39A C42A 121(2) . . ?
 C35A C40A H40D 109.5 . . ?
 C35A C40A H40E 109.5 . . ?
 C35A C40A H40F 109.5 . . ?
 H40D C40A H40E 109.5 . . ?
 H40D C40A H40F 109.5 . . ?
 H40E C40A H40F 109.5 . . ?
 C37A C41A H41D 109.5 . . ?
 C37A C41A H41E 109.5 . . ?
 C37A C41A H41F 109.5 . . ?
 H41D C41A H41E 109.5 . . ?
 H41D C41A H41F 109.5 . . ?
 H41E C41A H41F 109.5 . . ?
 C39A C42A H42D 109.5 . . ?
 C39A C42A H42E 109.5 . . ?
 C39A C42A H42F 109.5 . . ?
 H42D C42A H42E 109.5 . . ?
 H42D C42A H42F 109.5 . . ?
 H42E C42A H42F 109.5 . . ?
 C44A C43A C33A 116.8(19) . . ?
 C48A C43A C33A 120.5(19) . . ?
 C48A C43A C44A 122.5(16) . . ?
 C43A C44A C49A 120.8(19) . . ?
 C45A C44A C43A 117.3(17) . . ?
 C45A C44A C49A 122(2) . . ?
 C44A C45A H45A 118.9 . . ?
 C46A C45A C44A 122.2(19) . . ?
 C46A C45A H45A 118.9 . . ?
 C45A C46A C47A 120.4(18) . . ?
 C45A C46A C50A 123(2) . . ?
 C47A C46A C50A 116(2) . . ?
 C46A C47A H47A 119.7 . . ?
 C46A C47A C48A 120.7(18) . . ?
 C48A C47A H47A 119.7 . . ?
 C43A C48A C47A 116.7(17) . . ?
 C43A C48A C51A 120(2) . . ?
 C47A C48A C51A 123(2) . . ?
 C44A C49A H49D 109.5 . . ?
 C44A C49A H49E 109.5 . . ?
 C44A C49A H49F 109.5 . . ?
 H49D C49A H49E 109.5 . . ?
 H49D C49A H49F 109.5 . . ?
 H49E C49A H49F 109.5 . . ?
 C46A C50A H50D 109.5 . . ?
 C46A C50A H50E 109.5 . . ?
 C46A C50A H50F 109.5 . . ?
 H50D C50A H50E 109.5 . . ?
 H50D C50A H50F 109.5 . . ?
 H50E C50A H50F 109.5 . . ?
 C48A C51A H51D 109.5 . . ?
 C48A C51A H51E 109.5 . . ?
 C48A C51A H51F 109.5 . . ?
 H51D C51A H51E 109.5 . . ?
 H51D C51A H51F 109.5 . . ?
 H51E C51A H51F 109.5 . . ?
 H52A C52 H52B 109.5 . . ?
 H52A C52 H52C 109.5 . . ?
 H52B C52 H52C 109.5 . . ?
 C53 C52 H52A 109.5 . . ?
 C53 C52 H52B 109.5 . . ?
 C53 C52 H52C 109.5 . . ?
 C52 C53 H53A 109.6 . . ?
 C52 C53 H53B 109.6 . . ?
 H53A C53 H53B 108.1 . . ?
 C54 C53 C52 110.4(12) . . ?
 C54 C53 H53A 109.6 . . ?
 C54 C53 H53B 109.6 . . ?
 C53 C54 H54A 110.1 . . ?
 C53 C54 H54B 110.1 . . ?
 H54A C54 H54B 108.4 . . ?
 C55 C54 C53 107.9(12) . . ?
 C55 C54 H54A 110.1 . . ?
 C55 C54 H54B 110.1 . . ?
 C54 C55 H55A 107.9 . . ?
 C54 C55 H55B 107.9 . . ?
 H55A C55 H55B 107.2 . . ?
 C56 C55 C54 117.7(13) . . ?
 C56 C55 H55A 107.9 . . ?
 C56 C55 H55B 107.9 . . ?
 C55 C56 H56A 109.5 . . ?
 C55 C56 H56B 109.5 . . ?
 C55 C56 H56C 109.5 . . ?
 H56A C56 H56B 109.5 . . ?
 H56A C56 H56C 109.5 . . ?
 H56B C56 H56C 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
 C3 C4 C5 C6 -1.1(9) . . . . ?
 C3 C28 N3 P1 -104.6(8) . . . . ?
 C3 C28 N3 C14 70.1(9) . . . . ?
 C3 C28 N3A P1A -91(2) . . . . ?
 C3 C28 N3A C14A 64(3) . . . . ?
 C4 C3 C8 C9 60.4(7) . . . . ?
 C4 C3 C8 C10 -65.1(7) . . . . ?
 C4 C3 C28 C7 2.3(9) . . . . ?
 C4 C3 C28 N3 -176.9(6) . . . . ?
 C4 C3 C28 N3A -163.5(11) . . . . ?
 C4 C5 C6 C7 1.4(10) . . . . ?
 C5 C6 C7 C11 179.0(6) . . . . ?
 C5 C6 C7 C28 0.1(9) . . . . ?
 C6 C7 C11 C12 -97.9(8) . . . . ?
 C6 C7 C11 C13 25.9(9) . . . . ?
 C6 C7 C28 C3 -1.9(9) . . . . ?
 C6 C7 C28 N3 177.2(6) . . . . ?
 C6 C7 C28 N3A 165.8(10) . . . . ?
 C7 C28 N3 P1 76.2(9) . . . . ?
 C7 C28 N3 C14 -109.1(8) . . . . ?
 C7 C28 N3A P1A 102(2) . . . . ?
 C7 C28 N3A C14A -103(2) . . . . ?
 C8 C3 C4 C5 178.3(6) . . . . ?
 C8 C3 C28 C7 -176.7(6) . . . . ?
 C8 C3 C28 N3 4.1(9) . . . . ?
 C8 C3 C28 N3A 17.6(13) . . . . ?
 C11 C7 C28 C3 179.2(6) . . . . ?
 C11 C7 C28 N3 -1.7(9) . . . . ?
 C11 C7 C28 N3A -13.1(11) . . . . ?
 C16 N4 C15 C14 -178.8(9) . . . . ?
 C16 C17 C18 C19 -0.7(8) . . . . ?
 C16 C17 C22 C23 122.9(6) . . . . ?
 C16 C17 C22 C24 -113.9(6) . . . . ?
 C16 C21 C25 C26 -125.4(6) . . . . ?
 C16 C21 C25 C27 110.7(6) . . . . ?
 C16 N4A C15A C14A -172(3) . . . . ?
 C28 C3 C4 C5 -0.7(9) . . . . ?
 C28 C3 C8 C9 -120.6(6) . . . . ?
 C28 C3 C8 C10 113.8(6) . . . . ?
 C28 C7 C11 C12 81.0(8) . . . . ?
 C28 C7 C11 C13 -155.3(6) . . . . ?
 C28 N3 C14 C15 151.4(7) . . . . ?
 C28 N3A C14A C15A 169(2) . . . . ?
 Sn1 C2 C29 C30 175.1(11) . . . . ?
 Sn1 C2 C29 C34 -6.6(17) . . . . ?
 Sn1 C2 C33 C32 -176.6(11) . . . . ?
 Sn1 C2 C33 C43 7.7(16) . . . . ?
 P1 N3 C14 C15 -33.2(9) . . . . ?
 P1 N4 C15 C14 -24.3(11) . . . . ?
 N3 P1 N4 C16 156.9(9) . . . . ?
 N3 P1 N4 C15 5.0(9) . . . . ?
 N3 P1 C1 Sn1 -131.3(11) . . . . ?
 N3 P1 C1 N1 49.7(14) . . . . ?
 N3 C14 C15 N4 33.5(10) . . . . ?
 N4 C16 C17 C18 -176.4(6) . . . . ?
 N4 C16 C17 C22 4.9(8) . . . . ?
 N4 C16 C21 C20 176.5(6) . . . . ?
 N4 C16 C21 C25 -3.1(9) . . . . ?
 N4 P1 N3 C28 -167.8(8) . . . . ?
 N4 P1 N3 C14 17.4(7) . . . . ?
 N4 P1 C1 Sn1 135.5(12) . . . . ?
 N4 P1 C1 N1 -43.4(14) . . . . ?
 C1 P1 N3 C28 89.3(9) . . . . ?
 C1 P1 N3 C14 -85.5(7) . . . . ?
 C1 P1 N4 C16 -93.3(10) . . . . ?
 C1 P1 N4 C15 114.9(8) . . . . ?
 C2 C29 C30 C31 -6.5(19) . . . . ?
 C2 C29 C34 C35 -103.2(15) . . . . ?
 C2 C29 C34 C39 76.8(15) . . . . ?
 C2 C33 C43 C44 -88.5(18) . . . . ?
 C2 C33 C43 C48 88(2) . . . . ?
 C29 C2 C33 C32 -11(2) . . . . ?
 C29 C2 C33 C43 173.7(12) . . . . ?
 C29 C30 C31 C32 3.8(17) . . . . ?
 C29 C34 C35 C36 179.6(10) . . . . ?
 C29 C34 C35 C40 0.6(17) . . . . ?
 C29 C34 C39 C38 -178.0(9) . . . . ?
 C29 C34 C39 C42 5.0(15) . . . . ?
 C30 C29 C34 C35 75.2(16) . . . . ?
 C30 C29 C34 C39 -104.9(15) . . . . ?
 C30 C31 C32 C33 -4.5(17) . . . . ?
 C31 C32 C33 C2 8.0(19) . . . . ?
 C31 C32 C33 C43 -176.5(10) . . . . ?
 C32 C33 C43 C44 96(2) . . . . ?
 C32 C33 C43 C48 -88(2) . . . . ?
 C33 C2 C29 C30 10(2) . . . . ?
 C33 C2 C29 C34 -171.8(12) . . . . ?
 C33 C43 C44 C45 176.6(13) . . . . ?
 C33 C43 C44 C49 0(2) . . . . ?
 C33 C43 C48 C47 -175(2) . . . . ?
 C33 C43 C48 C51 6(4) . . . . ?
 C34 C29 C30 C31 175.1(10) . . . . ?
 C34 C35 C36 C37 0.0(18) . . . . ?
 C35 C34 C39 C38 2.0(16) . . . . ?
 C35 C34 C39 C42 -175.1(11) . . . . ?
 C35 C36 C37 C38 -1.3(17) . . . . ?
 C35 C36 C37 C41 178.7(11) . . . . ?
 C36 C37 C38 C39 3.2(16) . . . . ?
 C37 C38 C39 C34 -3.6(15) . . . . ?
 C37 C38 C39 C42 173.5(10) . . . . ?
 C39 C34 C35 C36 -0.3(18) . . . . ?
 C39 C34 C35 C40 -179.4(11) . . . . ?
 C40 C35 C36 C37 179.1(12) . . . . ?
 C41 C37 C38 C39 -176.8(10) . . . . ?
 C43 C44 C45 C46 -1(2) . . . . ?
 C44 C43 C48 C47 1(4) . . . . ?
 C44 C43 C48 C51 -178(2) . . . . ?
 C44 C45 C46 C47 0.3(19) . . . . ?
 C44 C45 C46 C50 -177.8(13) . . . . ?
 C45 C46 C47 C48 1(3) . . . . ?
 C46 C47 C48 C43 -2(4) . . . . ?
 C46 C47 C48 C51 177(2) . . . . ?
 C48 C43 C44 C45 0(3) . . . . ?
 C48 C43 C44 C49 -176(2) . . . . ?
 C49 C44 C45 C46 175.4(13) . . . . ?
 C50 C46 C47 C48 179(2) . . . . ?
 C17 C16 N4 P1 116.5(9) . . . . ?
 C17 C16 N4 C15 -91.2(10) . . . . ?
 C17 C16 C21 C20 -1.9(8) . . . . ?
 C17 C16 C21 C25 178.5(5) . . . . ?
 C17 C16 N4A P1A 116(2) . . . . ?
 C17 C16 N4A C15A -98(3) . . . . ?
 C17 C18 C19 C20 -0.6(9) . . . . ?
 C18 C17 C22 C23 -55.8(7) . . . . ?
 C18 C17 C22 C24 67.4(7) . . . . ?
 C18 C19 C20 C21 0.7(9) . . . . ?
 C19 C20 C21 C16 0.5(8) . . . . ?
 C19 C20 C21 C25 -179.9(5) . . . . ?
 C20 C21 C25 C26 55.0(7) . . . . ?
 C20 C21 C25 C27 -68.9(7) . . . . ?
 C21 C16 N4 P1 -61.9(10) . . . . ?
 C21 C16 N4 C15 90.4(10) . . . . ?
 C21 C16 C17 C18 1.9(8) . . . . ?
 C21 C16 C17 C22 -176.7(5) . . . . ?
 C21 C16 N4A P1A -74(2) . . . . ?
 C21 C16 N4A C15A 72(3) . . . . ?
 C22 C17 C18 C19 178.0(5) . . . . ?
 Sn1A C2A C29A C30A 153(3) . . . . ?
 Sn1A C2A C29A C34A -4(5) . . . . ?
 Sn1A C2A C33A C32A -156(3) . . . . ?
 Sn1A C2A C33A C43A -4(5) . . . . ?
 P1A N3A C14A C15A -34(3) . . . . ?
 P1A N4A C15A C14A -23(3) . . . . ?
 N2A N1A C1A Sn1A -158(25) . . . . ?
 N2A N1A C1A P1A 25(28) . . . . ?
 N3A P1A N4A C16 152(3) . . . . ?
 N3A P1A N4A C15A 3(3) . . . . ?
 N3A P1A C1A Sn1A -122(3) . . . . ?
 N3A P1A C1A N1A 54(4) . . . . ?
 N3A C14A C15A N4A 34(3) . . . . ?
 N4A C16 C17 C18 171.9(10) . . . . ?
 N4A C16 C17 C22 -6.8(12) . . . . ?
 N4A C16 C21 C20 -171.5(10) . . . . ?
 N4A C16 C21 C25 8.9(12) . . . . ?
 N4A P1A N3A C28 177(2) . . . . ?
 N4A P1A N3A C14A 19(2) . . . . ?
 N4A P1A C1A Sn1A 130(3) . . . . ?
 N4A P1A C1A N1A -53(4) . . . . ?
 C1A P1A N3A C28 62(3) . . . . ?
 C1A P1A N3A C14A -96(2) . . . . ?
 C1A P1A N4A C16 -82(3) . . . . ?
 C1A P1A N4A C15A 129(2) . . . . ?
 C2A C29A C30A C31A 18(5) . . . . ?
 C2A C29A C34A C35A -97(4) . . . . ?
 C2A C29A C34A C39A 84(4) . . . . ?
 C2A C33A C43A C44A -93(5) . . . . ?
 C2A C33A C43A C48A 92(7) . . . . ?
 C29A C2A C33A C32A 14(6) . . . . ?
 C29A C2A C33A C43A 166(3) . . . . ?
 C29A C30A C31A C32A -15(5) . . . . ?
 C29A C34A C35A C36A -180(3) . . . . ?
 C29A C34A C35A C40A -7(5) . . . . ?
 C29A C34A C39A C38A 177(3) . . . . ?
 C29A C34A C39A C42A 8(5) . . . . ?
 C30A C29A C34A C35A 107(4) . . . . ?
 C30A C29A C34A C39A -72(5) . . . . ?
 C30A C31A C32A C33A 11(5) . . . . ?
 C31A C32A C33A C2A -11(6) . . . . ?
 C31A C32A C33A C43A -163(3) . . . . ?
 C32A C33A C43A C44A 61(6) . . . . ?
 C32A C33A C43A C48A -114(7) . . . . ?
 C33A C2A C29A C30A -17(6) . . . . ?
 C33A C2A C29A C34A -174(3) . . . . ?
 C33A C43A C44A C45A -173(4) . . . . ?
 C33A C43A C44A C49A 2(7) . . . . ?
 C33A C43A C48A C47A 175(6) . . . . ?
 C33A C43A C48A C51A -11(11) . . . . ?
 C34A C29A C30A C31A 174(3) . . . . ?
 C34A C35A C36A C37A -2(6) . . . . ?
 C35A C34A C39A C38A -2(5) . . . . ?
 C35A C34A C39A C42A -171(4) . . . . ?
 C35A C36A C37A C38A 6(5) . . . . ?
 C35A C36A C37A C41A 173(4) . . . . ?
 C36A C37A C38A C39A -9(5) . . . . ?
 C37A C38A C39A C34A 7(5) . . . . ?
 C37A C38A C39A C42A 177(3) . . . . ?
 C39A C34A C35A C36A -1(6) . . . . ?
 C39A C34A C35A C40A 172(4) . . . . ?
 C40A C35A C36A C37A -174(4) . . . . ?
 C41A C37A C38A C39A -176(3) . . . . ?
 C43A C44A C45A C46A -5(7) . . . . ?
 C44A C43A C48A C47A 1(11) . . . . ?
 C44A C43A C48A C51A 175(6) . . . . ?
 C44A C45A C46A C47A 4(6) . . . . ?
 C44A C45A C46A C50A -180(4) . . . . ?
 C45A C46A C47A C48A -1(8) . . . . ?
 C46A C47A C48A C43A -1(11) . . . . ?
 C46A C47A C48A C51A -175(7) . . . . ?
 C48A C43A C44A C45A 2(9) . . . . ?
 C48A C43A C44A C49A 177(7) . . . . ?
 C49A C44A C45A C46A -179(4) . . . . ?
 C50A C46A C47A C48A -177(6) . . . . ?
 C52 C53 C54 C55 -168.1(17) . . . . ?
 C53 C54 C55 C56 -153(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
