data_7
_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
;
D. Kratzert, I. Krossing, (2018), J. Appl. Cryst. 51, 928-934. 

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Kratzert, D., Holstein, J.J. & Krossing, I. (2015). J. Appl. Cryst. 48, 933-938.

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(C59 H77 N4 O2 P Sn), 5(C7 H8)'
_chemical_formula_sum              'C153 H194 N8 O4 P2 Sn2'
_chemical_formula_weight           2508.47
_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'
 'O' 'O' 0.0389 0.0241 '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        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     15.1296(12)
_cell_length_b                     15.8689(14)
_cell_length_c                     16.0057(14)
_cell_angle_alpha                  70.767(3)
_cell_angle_beta                   68.916(3)
_cell_angle_gamma                  82.303(3)
_cell_volume                       3384.9(5)
_cell_formula_units_Z              1
_cell_measurement_reflns_used      9914
_cell_measurement_temperature      100.0(2)
_cell_measurement_theta_max        61.90
_cell_measurement_theta_min        3.11
_shelx_estimated_absorpt_T_max     0.776
_shelx_estimated_absorpt_T_min     0.629
_exptl_absorpt_coefficient_mu      2.429
_exptl_absorpt_correction_T_max    0.7521
_exptl_absorpt_correction_T_min    0.5549
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0991 before and 0.0625 after correction.
The Ratio of minimum to maximum transmission is 0.7378.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.231
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1330
_exptl_crystal_size_max            0.21
_exptl_crystal_size_mid            0.12
_exptl_crystal_size_min            0.11
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0471
_diffrn_reflns_av_unetI/netI       0.0542
_diffrn_reflns_Laue_measured_fraction_full  0.964
_diffrn_reflns_Laue_measured_fraction_max  0.940
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -19
_diffrn_reflns_limit_k_max         20
_diffrn_reflns_limit_k_min         -20
_diffrn_reflns_limit_l_max         20
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              30255
_diffrn_reflns_point_group_measured_fraction_full  0.964
_diffrn_reflns_point_group_measured_fraction_max  0.940
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           62.038
_diffrn_reflns_theta_min           3.110
_diffrn_ambient_temperature        100.0(2)
_diffrn_detector                   'CCD area detector'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CMOS area detector'
_diffrn_measured_fraction_theta_full  0.964
_diffrn_measured_fraction_theta_max  0.940
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             GaK\a
_diffrn_radiation_wavelength       1.34139
_diffrn_source                     'sealed X-ray tube'
_diffrn_source_target              Mo
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  14207
_reflns_number_total               15201
_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         'Bruker SMART APEX II diffractometer'
_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           1.606
_refine_diff_density_min           -0.973
_refine_diff_density_rms           0.085
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.042
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       950
_refine_ls_number_reflns           15201
_refine_ls_number_restraints       820
_refine_ls_R_factor_all            0.0478
_refine_ls_R_factor_gt             0.0453
_refine_ls_restrained_S_all        1.034
_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)+(0.0754P)²+2.0299P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1257
_refine_ls_wR_factor_ref           0.1277
_refine_special_details
;
All carbon atoms of a free guest solvent toluene molecule were refined as disorder over three sites with occupancies of 0.556, 0.242, and 0.201 (C60~C66:C60A~C66A:C60B~C66B). Another free guest solvent toluene molecule was refined as disorder over two sites with occupancies of 0.612 and 0.389 (C67~C73:C67A~C73A). The third toluene molecule, crossing over the symmetry element inversion center, was refined as special disorder with an occupancy of 0.5 (C74 to C80) and isotropically. We applied SHELXL SIMU, FLAT, and DFIX instructions to these disordered toluene molecules to stabilize the refinement:
SIMU 0.04 0.08 2 C60 C61 C62 C63 C64 C65 C66 C60A C61A C62A C63A C64A C65A C66A C60B C61B C62B C63B C64B C65B C66B
SIMU 0.04 0.08 2 C80 C78 C74 C75 C79 C76 C77
SIMU 0.04 0.08 2 C67A C68A C69A C70A C71A C72A C73A C67 C68 C69 C70 C71 C72 C73
FLAT 0.1 C71A C69A C68A C72A C70A C67A C73A
FLAT 0.1 C64A C60A C61A C63A C65A C62A C66A
DFIX 1.39 0.01 C65A C60A C65A C64A C64A C63A C63A C62A C62A C61A C61A C60A
Reflections where |Error/esd| > 9 were omitted in the refinement by applying SHELXL OMIT instructions:
OMIT 0 1 0
OMIT -1 2 0
OMIT 1 -3 1
OMIT -1 3 0
OMIT 3 0 0
OMIT 0 0 2
OMIT 4 1 1
These SHELXL restraints were applied to ensure stable refinement and to maintain the chemical reasonableness of the structure's geometry.
;
_olex2_refinement_description
;
1. Restrained distances
 C65A-C60A = C65A-C64A = C64A-C63A = C63A-C62A = C62A-C61A = C61A-C60A
 1.39 with sigma of 0.01
2. Restrained planarity
 C71A, C69A, C68A, C72A, C70A, C67A, C73A
 with sigma of 0.1
 C64A, C60A, C61A, C63A, C65A, C62A, C66A
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C60A
\\sim C61A \\sim C62A \\sim C63A \\sim C64A \\sim C65A \\sim C66A \\sim C60B
\\sim C61B \\sim C62B \\sim C63B \\sim C64B \\sim C65B \\sim C66B: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C80 \\sim C78 \\sim C74 \\sim C75 \\sim C79 \\sim C76 \\sim C77: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C67A \\sim C68A \\sim C69A \\sim C70A \\sim C71A \\sim C72A \\sim C73A \\sim
C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
4. Same fragment restrains
{C67A, C68A, C69A, C70A, C71A, C72A, C73A} sigma for 1-2: 0.02, 1-3: 0.02
as in
{C67, C68, C69, C70, C71, C72, C73}
{C60A, C61A, C62A, C63A, C64A, C65A, C66A} sigma for 1-2: 0.02, 1-3: 0.02
{C60B, C61B, C62B, C63B, C64B, C65B, C66B} sigma for 1-2: 0.02, 1-3: 0.02
as in
{C60, C61, C62, C63, C64, C65, C66}
5. Others
 1*[Sof(C60)+Sof(C61)+Sof(H61)+Sof(C62)+Sof(H62)+Sof(C63)+Sof(H63)+Sof(C64)+
 Sof(H64)+Sof(C65)+Sof(H65)+Sof(C66)+Sof(H66A)+Sof(H66B)+Sof(H66C)]+1*
 [Sof(C60A)+Sof(C61A)+Sof(H61A)+Sof(C62A)+Sof(H62A)+Sof(C63A)+Sof(H63A)+
 Sof(C64A)+Sof(H64A)+Sof(C65A)+Sof(H65A)+Sof(C66A)+Sof(H66D)+Sof(H66E)+
 Sof(H66F)]+1*[Sof(C60B)+Sof(C61B)+Sof(H61B)+Sof(C62B)+Sof(H62B)+Sof(C63B)+
 Sof(H63B)+Sof(C64B)+Sof(H64B)+Sof(C65B)+Sof(H65B)+Sof(C66B)+Sof(H66G)+
 Sof(H66H)+Sof(H66I)]=1 with esd of 0
 Sof(C60)=Sof(C61)=Sof(H61)=Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63)=Sof(C64)=
 Sof(H64)=Sof(C65)=Sof(H65)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(H66C)=FVAR(1)
 Sof(C60A)=Sof(C61A)=Sof(H61A)=Sof(C62A)=Sof(H62A)=Sof(C63A)=Sof(H63A)=
 Sof(C64A)=Sof(H64A)=Sof(C65A)=Sof(H65A)=Sof(C66A)=Sof(H66D)=Sof(H66E)=
 Sof(H66F)=FVAR(2)
 Sof(C60B)=Sof(C61B)=Sof(H61B)=Sof(C62B)=Sof(H62B)=Sof(C63B)=Sof(H63B)=
 Sof(C64B)=Sof(H64B)=Sof(C65B)=Sof(H65B)=Sof(C66B)=Sof(H66G)=Sof(H66H)=
 Sof(H66I)=FVAR(3)
 Sof(C67A)=Sof(C68A)=Sof(H68A)=Sof(C69A)=Sof(H69A)=Sof(C70A)=Sof(H70A)=
 Sof(C71A)=Sof(H71A)=Sof(C72A)=Sof(H72A)=Sof(C73A)=Sof(H73A)=Sof(H73B)=
 Sof(H73C)=1-FVAR(4)
 Sof(C67)=Sof(C68)=Sof(H68)=Sof(C69)=Sof(H69)=Sof(C70)=Sof(H70)=Sof(C71)=
 Sof(H71)=Sof(C72)=Sof(H72)=Sof(C73)=Sof(H73D)=Sof(H73E)=Sof(H73F)=FVAR(4)
 Fixed Sof: C74(0.5) C79(0.5) H79(0.5) C78(0.5) H78(0.5) C77(0.5) H77(0.5)
 C76(0.5) H76(0.5) C75(0.5) H75(0.5) C80(0.5) H80A(0.5) H80B(0.5) H80C(0.5)
6.a Riding coordinates:
 C80(H80A,H80B,H80C)
6.b Ternary CH refined with riding coordinates:
 C7(H7), C16(H16), C19(H19), C30(H30), C33(H33)
6.c Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C23(H23A,H23B)
6.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C12(H12), C13(H13), C14(H14), C26(H26), C27(H27), C28(H28), C38(H38),
 C39(H39), C40(H40), C44(H44), C46(H46), C53(H53), C55(H55), C61(H61), C62(H62),
  C63(H63), C64(H64), C65(H65), C61A(H61A), C62A(H62A), C63A(H63A), C64A(H64A),
 C65A(H65A), C61B(H61B), C62B(H62B), C63B(H63B), C64B(H64B), C65B(H65B),
 C68A(H68A), C69A(H69A), C70A(H70A), C71A(H71A), C72A(H72A), C68(H68), C69(H69),
  C70(H70), C71(H71), C72(H72), C79(H79), C78(H78), C77(H77), C76(H76), C75(H75)
6.e Fitted hexagon refined as free rotating group:
 C67A(C68A,C69A,C70A,C71A,C72A), C74(C79,C78,C77,C76,C75)
6.f Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C17(H17A,H17B,H17C),
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C),
 C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C66(H66A,H66B,
 H66C), C66A(H66D,H66E,H66F), C66B(H66G,H66H,H66I), C73A(H73A,H73B,H73C),
 C73(H73D,H73E,H73F)
;
_atom_sites_solution_hydrogens     mixed
_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
 Sn1 Sn 0.87968(2) 0.33059(2) 0.47121(2) 0.02865(6) Uani 1 1 d . . . . .
 P1 P 0.79002(4) 0.59896(3) 0.21070(4) 0.02646(11) Uani 1 1 d . . . . .
 O1 O 0.83203(11) 0.66135(11) 0.11519(12) 0.0319(3) Uani 1 1 d . . . . .
 O2 O 0.79551(11) 0.42306(11) 0.38852(12) 0.0294(3) Uani 1 1 d . . . . .
 N1 N 1.03672(13) 0.46634(12) 0.16636(14) 0.0274(4) Uani 1 1 d . . . . .
 N2 N 0.93377(13) 0.37231(12) 0.31265(14) 0.0282(4) Uani 1 1 d . . . . .
 N3 N 0.68307(13) 0.55822(13) 0.24074(14) 0.0286(4) Uani 1 1 d . . . . .
 N4 N 0.75528(13) 0.64557(13) 0.29658(15) 0.0309(4) Uani 1 1 d . . . . .
 C1 C 0.87346(15) 0.50956(14) 0.22648(16) 0.0272(4) Uani 1 1 d . . . . .
 C2 C 0.79349(17) 0.20835(16) 0.52379(18) 0.0341(5) Uani 1 1 d . . . . .
 C3 C 0.96383(16) 0.52288(14) 0.16230(16) 0.0272(4) Uani 1 1 d . . . . .
 H3 H 0.975098 0.576512 0.111189 0.033 Uiso 1 1 calc R U . . .
 C4 C 1.02039(16) 0.37345(15) 0.23307(17) 0.0291(4) Uani 1 1 d . . . . .
 C5 C 0.86480(15) 0.43344(14) 0.30921(16) 0.0270(4) Uani 1 1 d . . . . .
 C6 C 1.1720(2) 0.5649(2) 0.1105(2) 0.0470(7) Uani 1 1 d . . . . .
 H6A H 1.132372 0.618979 0.101319 0.070 Uiso 1 1 calc R U . . .
 H6B H 1.236593 0.577705 0.065975 0.070 Uiso 1 1 calc R U . . .
 H6C H 1.173308 0.545314 0.174904 0.070 Uiso 1 1 calc R U . . .
 C7 C 1.13137(16) 0.49147(16) 0.09403(16) 0.0302(4) Uani 1 1 d . . . . .
 H7 H 1.174121 0.437899 0.102723 0.036 Uiso 1 1 calc R U . . .
 C8 C 1.01079(19) 0.31242(16) 0.18030(19) 0.0378(5) Uani 1 1 d . . . . .
 H8A H 0.958357 0.334017 0.155936 0.057 Uiso 1 1 calc R U . . .
 H8B H 0.998070 0.251518 0.223233 0.057 Uiso 1 1 calc R U . . .
 H8C H 1.069771 0.312605 0.127901 0.057 Uiso 1 1 calc R U . . .
 C9 C 1.10103(17) 0.34204(18) 0.27301(19) 0.0385(5) Uani 1 1 d . . . . .
 H9A H 1.159510 0.335636 0.222603 0.058 Uiso 1 1 calc R U . . .
 H9B H 1.085219 0.284348 0.321961 0.058 Uiso 1 1 calc R U . . .
 H9C H 1.110096 0.385978 0.300092 0.058 Uiso 1 1 calc R U . . .
 C10 C 0.65036(15) 0.52753(16) 0.18185(18) 0.0303(4) Uani 1 1 d . . . . .
 C11 C 0.63595(16) 0.43544(16) 0.20610(19) 0.0333(5) Uani 1 1 d . . . . .
 C12 C 0.60654(18) 0.40493(18) 0.1475(2) 0.0384(5) Uani 1 1 d . . . . .
 H12 H 0.597770 0.342880 0.162216 0.046 Uiso 1 1 calc R U . . .
 C13 C 0.59020(18) 0.4636(2) 0.0691(2) 0.0409(6) Uani 1 1 d . . . . .
 H13 H 0.571932 0.441739 0.029169 0.049 Uiso 1 1 calc R U . . .
 C14 C 0.60040(18) 0.5545(2) 0.0482(2) 0.0401(5) Uani 1 1 d . . . . .
 H14 H 0.587492 0.594439 -0.005263 0.048 Uiso 1 1 calc R U . . .
 C15 C 0.62929(16) 0.58879(17) 0.10434(18) 0.0346(5) Uani 1 1 d . . . . .
 C16 C 0.6520(2) 0.36961(17) 0.2922(2) 0.0437(6) Uani 1 1 d . . . . .
 H16 H 0.668331 0.404210 0.326678 0.052 Uiso 1 1 calc R U . . .
 C17 C 0.7364(3) 0.3075(2) 0.2635(3) 0.0705(12) Uani 1 1 d . . . . .
 H17A H 0.753962 0.273057 0.318669 0.106 Uiso 1 1 calc R U . . .
 H17B H 0.790321 0.343149 0.215666 0.106 Uiso 1 1 calc R U . . .
 H17C H 0.718904 0.266589 0.237846 0.106 Uiso 1 1 calc R U . . .
 C18 C 0.5619(3) 0.3179(2) 0.3583(3) 0.0676(11) Uani 1 1 d . . . . .
 H18A H 0.541674 0.286649 0.324710 0.101 Uiso 1 1 calc R U . . .
 H18B H 0.511584 0.359511 0.379731 0.101 Uiso 1 1 calc R U . . .
 H18C H 0.574573 0.274279 0.412604 0.101 Uiso 1 1 calc R U . . .
 C19 C 0.63231(17) 0.68891(17) 0.08217(19) 0.0372(5) Uani 1 1 d . . . . .
 H19 H 0.659615 0.700715 0.125525 0.045 Uiso 1 1 calc R U . . .
 C20 C 0.6956(2) 0.7331(2) -0.0181(2) 0.0490(6) Uani 1 1 d . . . . .
 H20A H 0.674268 0.717500 -0.062081 0.073 Uiso 1 1 calc R U . . .
 H20B H 0.761173 0.712210 -0.025790 0.073 Uiso 1 1 calc R U . . .
 H20C H 0.692082 0.798034 -0.030997 0.073 Uiso 1 1 calc R U . . .
 C21 C 0.5314(2) 0.7290(2) 0.1018(2) 0.0489(7) Uani 1 1 d . . . . .
 H21A H 0.533691 0.793093 0.091858 0.073 Uiso 1 1 calc R U . . .
 H21B H 0.492723 0.699720 0.166953 0.073 Uiso 1 1 calc R U . . .
 H21C H 0.503376 0.719705 0.059066 0.073 Uiso 1 1 calc R U . . .
 C22 C 0.61100(16) 0.58313(16) 0.31905(18) 0.0328(5) Uani 1 1 d . . . . .
 H22A H 0.570419 0.531668 0.362434 0.039 Uiso 1 1 calc R U . . .
 H22B H 0.570429 0.632739 0.295508 0.039 Uiso 1 1 calc R U . . .
 C23 C 0.66519(16) 0.61223(17) 0.36947(18) 0.0339(5) Uani 1 1 d . . . . .
 H23A H 0.629656 0.659750 0.396266 0.041 Uiso 1 1 calc R U . . .
 H23B H 0.675873 0.561091 0.420761 0.041 Uiso 1 1 calc R U . . .
 C24 C 0.80358(17) 0.71553(15) 0.29994(19) 0.0338(5) Uani 1 1 d . . . . .
 C25 C 0.86955(18) 0.69439(16) 0.34763(18) 0.0336(5) Uani 1 1 d . . . . .
 C26 C 0.9164(2) 0.76397(18) 0.3485(2) 0.0439(6) Uani 1 1 d . . . . .
 H26 H 0.961826 0.750685 0.379522 0.053 Uiso 1 1 calc R U . . .
 C27 C 0.8976(3) 0.85194(19) 0.3048(2) 0.0530(7) Uani 1 1 d . . . . .
 H27 H 0.930670 0.898529 0.305334 0.064 Uiso 1 1 calc R U . . .
 C28 C 0.8308(3) 0.87203(19) 0.2605(3) 0.0549(8) Uani 1 1 d . . . . .
 H28 H 0.817673 0.932725 0.231654 0.066 Uiso 1 1 calc R U . . .
 C29 C 0.7822(2) 0.80493(17) 0.2573(2) 0.0428(6) Uani 1 1 d . . . . .
 C30 C 0.88861(17) 0.59932(16) 0.40005(18) 0.0330(5) Uani 1 1 d . . . . .
 H30 H 0.851639 0.559191 0.388494 0.040 Uiso 1 1 calc R U . . .
 C31 C 0.99309(19) 0.57308(18) 0.3646(2) 0.0408(5) Uani 1 1 d . . . . .
 H31A H 1.014273 0.584861 0.296375 0.061 Uiso 1 1 calc R U . . .
 H31B H 1.001536 0.509407 0.395019 0.061 Uiso 1 1 calc R U . . .
 H31C H 1.030555 0.608132 0.379702 0.061 Uiso 1 1 calc R U . . .
 C32 C 0.8532(2) 0.5859(2) 0.5063(2) 0.0442(6) Uani 1 1 d . . . . .
 H32A H 0.891544 0.621098 0.520264 0.066 Uiso 1 1 calc R U . . .
 H32B H 0.858692 0.522571 0.540014 0.066 Uiso 1 1 calc R U . . .
 H32C H 0.786734 0.605474 0.526504 0.066 Uiso 1 1 calc R U . . .
 C33 C 0.7079(2) 0.83039(19) 0.2088(3) 0.0521(8) Uani 1 1 d . . . . .
 H33 H 0.679475 0.774022 0.215857 0.063 Uiso 1 1 calc R U . . .
 C34 C 0.7521(3) 0.8778(2) 0.1040(3) 0.0628(9) Uani 1 1 d . . . . .
 H34A H 0.703516 0.889089 0.074186 0.094 Uiso 1 1 calc R U . . .
 H34B H 0.802878 0.840209 0.075436 0.094 Uiso 1 1 calc R U . . .
 H34C H 0.778213 0.934695 0.095010 0.094 Uiso 1 1 calc R U . . .
 C35 C 0.6280(3) 0.8872(3) 0.2571(4) 0.0751(12) Uani 1 1 d . . . . .
 H35A H 0.653859 0.943206 0.250822 0.113 Uiso 1 1 calc R U . . .
 H35B H 0.599975 0.854210 0.323883 0.113 Uiso 1 1 calc R U . . .
 H35C H 0.579207 0.900211 0.227407 0.113 Uiso 1 1 calc R U . . .
 C36 C 1.12919(19) 0.5166(2) -0.00512(19) 0.0422(6) Uani 1 1 d . . . . .
 H36A H 1.104163 0.466960 -0.013022 0.063 Uiso 1 1 calc R U . . .
 H36B H 1.193539 0.529550 -0.050130 0.063 Uiso 1 1 calc R U . . .
 H36C H 1.088464 0.569609 -0.016343 0.063 Uiso 1 1 calc R U . . .
 C37 C 0.81118(19) 0.12691(17) 0.50148(19) 0.0370(5) Uani 1 1 d . . . . .
 C38 C 0.7485(2) 0.0563(2) 0.5553(2) 0.0507(7) Uani 1 1 d . . . . .
 H38 H 0.760199 0.002161 0.539627 0.061 Uiso 1 1 calc R U . . .
 C39 C 0.6699(3) 0.0637(2) 0.6309(3) 0.0638(9) Uani 1 1 d . . . . .
 H39 H 0.627416 0.015525 0.665626 0.077 Uiso 1 1 calc R U . . .
 C40 C 0.6534(2) 0.1412(3) 0.6558(3) 0.0622(9) Uani 1 1 d . . . . .
 H40 H 0.599946 0.146190 0.708242 0.075 Uiso 1 1 calc R U . . .
 C41 C 0.71554(19) 0.21256(19) 0.6035(2) 0.0423(6) Uani 1 1 d . . . . .
 C42 C 0.89614(19) 0.11143(15) 0.42380(19) 0.0358(5) Uani 1 1 d . . . . .
 C43 C 0.8859(2) 0.08826(16) 0.3493(2) 0.0416(6) Uani 1 1 d . . . . .
 C44 C 0.9664(2) 0.07205(16) 0.2794(2) 0.0466(7) Uani 1 1 d . . . . .
 H44 H 0.958967 0.058924 0.228514 0.056 Uiso 1 1 calc R U . . .
 C45 C 1.0568(2) 0.07425(17) 0.2808(2) 0.0479(7) Uani 1 1 d . . . . .
 C46 C 1.0666(2) 0.09445(17) 0.3553(2) 0.0425(6) Uani 1 1 d . . . . .
 H46 H 1.128309 0.095953 0.357512 0.051 Uiso 1 1 calc R U . . .
 C47 C 0.98815(19) 0.11255(15) 0.42688(19) 0.0367(5) Uani 1 1 d . . . . .
 C48 C 0.7895(2) 0.07828(19) 0.3452(3) 0.0513(7) Uani 1 1 d . . . . .
 H48A H 0.769584 0.016158 0.377023 0.077 Uiso 1 1 calc R U . . .
 H48B H 0.793168 0.094820 0.279373 0.077 Uiso 1 1 calc R U . . .
 H48C H 0.743336 0.117413 0.376407 0.077 Uiso 1 1 calc R U . . .
 C49 C 1.1429(3) 0.0554(2) 0.2036(3) 0.0660(10) Uani 1 1 d . . . . .
 H49A H 1.162484 0.110768 0.151679 0.099 Uiso 1 1 calc R U . . .
 H49B H 1.127161 0.011223 0.180671 0.099 Uiso 1 1 calc R U . . .
 H49C H 1.194817 0.032171 0.228353 0.099 Uiso 1 1 calc R U . . .
 C50 C 1.0057(2) 0.12802(17) 0.5079(2) 0.0390(5) Uani 1 1 d . . . . .
 H50A H 1.019324 0.191140 0.492101 0.058 Uiso 1 1 calc R U . . .
 H50B H 1.059904 0.091187 0.519810 0.058 Uiso 1 1 calc R U . . .
 H50C H 0.949353 0.111752 0.564294 0.058 Uiso 1 1 calc R U . . .
 C51 C 0.69930(18) 0.29338(19) 0.6371(2) 0.0402(6) Uani 1 1 d . . . . .
 C52 C 0.74031(19) 0.2945(2) 0.7032(2) 0.0423(6) Uani 1 1 d . . . . .
 C53 C 0.72341(19) 0.3685(2) 0.7358(2) 0.0444(6) Uani 1 1 d . . . . .
 H53 H 0.750135 0.369123 0.781024 0.053 Uiso 1 1 calc R U . . .
 C54 C 0.66929(18) 0.4408(2) 0.7048(2) 0.0427(6) Uani 1 1 d . . . . .
 C55 C 0.63053(18) 0.4391(2) 0.6382(2) 0.0422(6) Uani 1 1 d . . . . .
 H55 H 0.594710 0.489281 0.614724 0.051 Uiso 1 1 calc R U . . .
 C56 C 0.64324(17) 0.3654(2) 0.6054(2) 0.0405(6) Uani 1 1 d . . . . .
 C57 C 0.8010(2) 0.2178(2) 0.7387(2) 0.0526(7) Uani 1 1 d . . . . .
 H57A H 0.763565 0.163329 0.770278 0.079 Uiso 1 1 calc R U . . .
 H57B H 0.823507 0.230951 0.783287 0.079 Uiso 1 1 calc R U . . .
 H57C H 0.855404 0.209164 0.685696 0.079 Uiso 1 1 calc R U . . .
 C58 C 0.6518(2) 0.5209(2) 0.7409(3) 0.0528(7) Uani 1 1 d . . . . .
 H58A H 0.618319 0.567869 0.705532 0.079 Uiso 1 1 calc R U . . .
 H58B H 0.712614 0.543382 0.732667 0.079 Uiso 1 1 calc R U . . .
 H58C H 0.613322 0.503117 0.807714 0.079 Uiso 1 1 calc R U . . .
 C59 C 0.59606(18) 0.3630(2) 0.5377(2) 0.0459(6) Uani 1 1 d . . . . .
 H59A H 0.553195 0.312328 0.566414 0.069 Uiso 1 1 calc R U . . .
 H59B H 0.644445 0.356515 0.479817 0.069 Uiso 1 1 calc R U . . .
 H59C H 0.559873 0.418620 0.523009 0.069 Uiso 1 1 calc R U . . .
 C60 C 0.4409(8) 0.1289(8) 0.3780(9) 0.079(3) Uani 0.556(3) 1 d D U P A 1
 C61 C 0.3879(7) 0.1381(5) 0.4634(7) 0.072(2) Uani 0.556(3) 1 d D U P A 1
 H61 H 0.408160 0.111165 0.516119 0.086 Uiso 0.556(3) 1 calc R U P A 1
 C62 C 0.3039(6) 0.1873(6) 0.4729(7) 0.073(2) Uani 0.556(3) 1 d D U P A 1
 H62 H 0.268441 0.197233 0.531362 0.087 Uiso 0.556(3) 1 calc R U P A 1
 C63 C 0.2728(5) 0.2206(5) 0.4003(6) 0.0687(19) Uani 0.556(3) 1 d D U P A 1
 H63 H 0.212312 0.249357 0.409636 0.082 Uiso 0.556(3) 1 calc R U P A 1
 C64 C 0.3284(8) 0.2144(9) 0.3076(8) 0.088(3) Uani 0.556(3) 1 d D U P A 1
 H64 H 0.307776 0.242099 0.255183 0.106 Uiso 0.556(3) 1 calc R U P A 1
 C65 C 0.4094(7) 0.1684(6) 0.2991(7) 0.072(2) Uani 0.556(3) 1 d D U P A 1
 H65 H 0.447044 0.161655 0.239626 0.086 Uiso 0.556(3) 1 calc R U P A 1
 C66 C 0.5321(8) 0.0822(8) 0.3564(11) 0.114(4) Uani 0.556(3) 1 d D U P A 1
 H66A H 0.556046 0.069613 0.408660 0.170 Uiso 0.556(3) 1 calc R U P A 1
 H66B H 0.577110 0.119696 0.298982 0.170 Uiso 0.556(3) 1 calc R U P A 1
 H66C H 0.524331 0.026038 0.347012 0.170 Uiso 0.556(3) 1 calc R U P A 1
 C60A C 0.4535(15) 0.1221(14) 0.3714(16) 0.089(8) Uani 0.242(3) 1 d D U P B 2
 C61A C 0.4953(14) 0.1281(15) 0.2774(16) 0.103(7) Uani 0.242(3) 1 d D U P B 2
 H61A H 0.555535 0.100942 0.255605 0.123 Uiso 0.242(3) 1 calc R U P B 2
 C62A C 0.4481(14) 0.1744(14) 0.2152(13) 0.107(7) Uani 0.242(3) 1 d D U P B 2
 H62A H 0.476640 0.182743 0.149597 0.128 Uiso 0.242(3) 1 calc R U P B 2
 C63A C 0.3592(14) 0.2074(15) 0.2515(14) 0.100(6) Uani 0.242(3) 1 d D U P B 2
 H63A H 0.324234 0.233336 0.210042 0.120 Uiso 0.242(3) 1 calc R U P B 2
 C64A C 0.3160(14) 0.2057(17) 0.3455(15) 0.102(8) Uani 0.242(3) 1 d D U P B 2
 H64A H 0.254944 0.231369 0.367466 0.122 Uiso 0.242(3) 1 calc R U P B 2
 C65A C 0.3669(13) 0.1651(10) 0.4039(14) 0.082(4) Uani 0.242(3) 1 d D U P B 2
 H65A H 0.343112 0.166007 0.467201 0.098 Uiso 0.242(3) 1 calc R U P B 2
 C66A C 0.493(2) 0.073(2) 0.446(2) 0.177(15) Uani 0.242(3) 1 d D U P B 2
 H66D H 0.518824 0.015294 0.437624 0.265 Uiso 0.242(3) 1 calc R U P B 2
 H66E H 0.443302 0.063756 0.507545 0.265 Uiso 0.242(3) 1 calc R U P B 2
 H66F H 0.544033 0.107925 0.442569 0.265 Uiso 0.242(3) 1 calc R U P B 2
 C60B C 0.4595(18) 0.1351(19) 0.3240(17) 0.092(7) Uani 0.201(3) 1 d D U P C 3
 C61B C 0.3774(16) 0.1851(15) 0.3325(19) 0.077(5) Uani 0.201(3) 1 d D U P C 3
 H61B H 0.359155 0.213948 0.278808 0.092 Uiso 0.201(3) 1 calc R U P C 3
 C62B C 0.3210(16) 0.1938(16) 0.419(2) 0.082(5) Uani 0.201(3) 1 d D U P C 3
 H62B H 0.260283 0.221957 0.427343 0.098 Uiso 0.201(3) 1 calc R U P C 3
 C63B C 0.354(2) 0.1613(17) 0.4920(16) 0.089(8) Uani 0.201(3) 1 d D U P C 3
 H63B H 0.321133 0.175663 0.548570 0.107 Uiso 0.201(3) 1 calc R U P C 3
 C64B C 0.438(2) 0.1061(18) 0.4868(17) 0.109(7) Uani 0.201(3) 1 d D U P C 3
 H64B H 0.453932 0.074524 0.541311 0.131 Uiso 0.201(3) 1 calc R U P C 3
 C65B C 0.4926(18) 0.1012(18) 0.4010(19) 0.107(7) Uani 0.201(3) 1 d D U P C 3
 H65B H 0.554120 0.074650 0.392159 0.128 Uiso 0.201(3) 1 calc R U P C 3
 C66B C 0.526(2) 0.124(3) 0.235(2) 0.141(14) Uani 0.201(3) 1 d D U P C 3
 H66G H 0.496804 0.147521 0.186417 0.211 Uiso 0.201(3) 1 calc R U P C 3
 H66H H 0.541408 0.060535 0.243603 0.211 Uiso 0.201(3) 1 calc R U P C 3
 H66I H 0.583831 0.156700 0.217140 0.211 Uiso 0.201(3) 1 calc R U P C 3
 C67A C 1.2014(9) 0.8327(11) -0.0238(12) 0.155(7) Uani 0.388(8) 1 d DG U P D
 -2
 C68A C 1.1649(9) 0.8808(10) 0.0401(12) 0.213(12) Uani 0.388(8) 1 d DG U P D
 -2
 H68A H 1.206439 0.904739 0.058833 0.256 Uiso 0.388(8) 1 calc R U P D -2
 C69A C 1.0676(10) 0.8940(9) 0.0768(10) 0.106(5) Uani 0.388(8) 1 d DG U P D -2
 H69A H 1.042619 0.926844 0.120502 0.127 Uiso 0.388(8) 1 calc R U P D -2
 C70A C 1.0068(8) 0.8590(12) 0.0494(12) 0.172(8) Uani 0.388(8) 1 d DG U P D -2
 H70A H 0.940291 0.867937 0.074471 0.206 Uiso 0.388(8) 1 calc R U P D -2
 C71A C 1.0433(12) 0.8108(13) -0.0145(13) 0.157(10) Uani 0.388(8) 1 d DG U P D
 -2
 H71A H 1.001783 0.786924 -0.033229 0.188 Uiso 0.388(8) 1 calc R U P D -2
 C72A C 1.1406(12) 0.7977(12) -0.0512(12) 0.171(9) Uani 0.388(8) 1 d DG U P D
 -2
 H72A H 1.165604 0.764818 -0.094898 0.205 Uiso 0.388(8) 1 calc R U P D -2
 C73A C 1.3084(13) 0.8143(16) -0.063(2) 0.218(13) Uani 0.388(8) 1 d D U P D -2
 H73A H 1.340307 0.869987 -0.105849 0.327 Uiso 0.388(8) 1 calc R U P D -2
 H73B H 1.319452 0.770789 -0.097595 0.327 Uiso 0.388(8) 1 calc R U P D -2
 H73C H 1.333507 0.790345 -0.011292 0.327 Uiso 0.388(8) 1 calc R U P D -2
 C67 C 1.1884(7) 0.8460(7) 0.0059(7) 0.096(3) Uani 0.612(8) 1 d D U P D -1
 C68 C 1.1033(7) 0.8337(8) 0.0762(7) 0.100(3) Uani 0.612(8) 1 d D U P D -1
 H68 H 1.098158 0.848714 0.130590 0.120 Uiso 0.612(8) 1 calc R U P D -1
 C69 C 1.0260(5) 0.8022(4) 0.0753(5) 0.0669(17) Uani 0.612(8) 1 d D U P D -1
 H69 H 0.969338 0.791971 0.128213 0.080 Uiso 0.612(8) 1 calc R U P D -1
 C70 C 1.0321(5) 0.7844(5) -0.0087(5) 0.0577(16) Uani 0.612(8) 1 d D U P D -1
 H70 H 0.978010 0.767496 -0.015804 0.069 Uiso 0.612(8) 1 calc R U P D -1
 C71 C 1.1207(5) 0.7928(5) -0.0801(4) 0.0601(16) Uani 0.612(8) 1 d D U P D -1
 H71 H 1.126459 0.778000 -0.134710 0.072 Uiso 0.612(8) 1 calc R U P D -1
 C72 C 1.1993(6) 0.8214(6) -0.0746(6) 0.085(2) Uani 0.612(8) 1 d D U P D -1
 H72 H 1.259055 0.824634 -0.123027 0.102 Uiso 0.612(8) 1 calc R U P D -1
 C73 C 1.2804(8) 0.8736(8) 0.0096(8) 0.114(4) Uani 0.612(8) 1 d D U P D -1
 H73D H 1.266098 0.892036 0.065892 0.172 Uiso 0.612(8) 1 calc R U P D -1
 H73E H 1.308549 0.923504 -0.046506 0.172 Uiso 0.612(8) 1 calc R U P D -1
 H73F H 1.325236 0.822922 0.011709 0.172 Uiso 0.612(8) 1 calc R U P D -1
 C74 C 0.4290(10) 0.9226(8) -0.0410(10) 0.145(6) Uiso 0.5 1 d G U P E -1
 C79 C 0.3823(7) 0.9443(8) 0.0417(9) 0.167(7) Uiso 0.5 1 d G U P E -1
 H79 H 0.319048 0.925598 0.077970 0.200 Uiso 0.5 1 calc R U P E -1
 C78 C 0.4279(8) 0.9933(9) 0.0714(7) 0.147(10) Uiso 0.5 1 d G U P E -1
 H78 H 0.395971 1.008113 0.127920 0.176 Uiso 0.5 1 calc R U P E -1
 C77 C 0.5204(8) 1.0207(9) 0.0184(9) 0.115(4) Uiso 0.5 1 d G U P E -1
 H77 H 0.551656 1.054159 0.038638 0.138 Uiso 0.5 1 calc R U P E -1
 C76 C 0.5672(7) 0.9990(10) -0.0643(9) 0.225(19) Uiso 0.5 1 d G U P E -1
 H76 H 0.630419 1.017690 -0.100595 0.270 Uiso 0.5 1 calc R U P E -1
 C75 C 0.5215(10) 0.9500(9) -0.0940(8) 0.169(7) Uiso 0.5 1 d G U P E -1
 H75 H 0.553498 0.935176 -0.150547 0.203 Uiso 0.5 1 calc R U P E -1
 C80 C 0.374(2) 0.868(2) -0.060(2) 0.224(11) Uiso 0.5 1 d . U P E -1
 H80A H 0.346428 0.817412 -0.004010 0.336 Uiso 0.5 1 d R U P E -1
 H80B H 0.416108 0.844882 -0.110870 0.336 Uiso 0.5 1 d R U P E -1
 H80C H 0.322878 0.903822 -0.079730 0.336 Uiso 0.5 1 d R U P E -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
 Sn1 O2 2.2269(16) . ?
 Sn1 N2 2.257(2) . ?
 Sn1 C2 2.233(2) . ?
 Sn1 C5 2.640(2) . ?
 P1 O1 1.4811(18) . ?
 P1 N3 1.6683(19) . ?
 P1 N4 1.661(2) . ?
 P1 C1 1.784(2) . ?
 O2 C5 1.299(3) . ?
 N1 C3 1.332(3) . ?
 N1 C4 1.498(3) . ?
 N1 C7 1.485(3) . ?
 N2 C4 1.460(3) . ?
 N2 C5 1.330(3) . ?
 N3 C10 1.440(3) . ?
 N3 C22 1.464(3) . ?
 N4 C23 1.463(3) . ?
 N4 C24 1.433(3) . ?
 C1 C3 1.376(3) . ?
 C1 C5 1.447(3) . ?
 C2 C37 1.418(3) . ?
 C2 C41 1.405(4) . ?
 C3 H3 0.9500 . ?
 C4 C8 1.529(3) . ?
 C4 C9 1.528(3) . ?
 C6 H6A 0.9800 . ?
 C6 H6B 0.9800 . ?
 C6 H6C 0.9800 . ?
 C6 C7 1.522(3) . ?
 C7 H7 1.0000 . ?
 C7 C36 1.515(3) . ?
 C8 H8A 0.9800 . ?
 C8 H8B 0.9800 . ?
 C8 H8C 0.9800 . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 C11 1.409(3) . ?
 C10 C15 1.412(3) . ?
 C11 C12 1.403(3) . ?
 C11 C16 1.508(4) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.377(4) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.387(4) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.400(4) . ?
 C15 C19 1.513(4) . ?
 C16 H16 1.0000 . ?
 C16 C17 1.534(5) . ?
 C16 C18 1.531(5) . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C18 H18A 0.9800 . ?
 C18 H18B 0.9800 . ?
 C18 H18C 0.9800 . ?
 C19 H19 1.0000 . ?
 C19 C20 1.522(4) . ?
 C19 C21 1.537(3) . ?
 C20 H20A 0.9800 . ?
 C20 H20B 0.9800 . ?
 C20 H20C 0.9800 . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 H22A 0.9900 . ?
 C22 H22B 0.9900 . ?
 C22 C23 1.536(3) . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C24 C25 1.407(3) . ?
 C24 C29 1.408(3) . ?
 C25 C26 1.395(3) . ?
 C25 C30 1.512(3) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.382(4) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.381(5) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.397(4) . ?
 C29 C33 1.525(4) . ?
 C30 H30 1.0000 . ?
 C30 C31 1.526(4) . ?
 C30 C32 1.537(4) . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C33 H33 1.0000 . ?
 C33 C34 1.524(6) . ?
 C33 C35 1.538(5) . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C35 H35A 0.9800 . ?
 C35 H35B 0.9800 . ?
 C35 H35C 0.9800 . ?
 C36 H36A 0.9800 . ?
 C36 H36B 0.9800 . ?
 C36 H36C 0.9800 . ?
 C37 C38 1.399(4) . ?
 C37 C42 1.492(4) . ?
 C38 H38 0.9500 . ?
 C38 C39 1.383(5) . ?
 C39 H39 0.9500 . ?
 C39 C40 1.379(5) . ?
 C40 H40 0.9500 . ?
 C40 C41 1.401(4) . ?
 C41 C51 1.507(4) . ?
 C42 C43 1.420(4) . ?
 C42 C47 1.413(4) . ?
 C43 C44 1.388(4) . ?
 C43 C48 1.515(4) . ?
 C44 H44 0.9500 . ?
 C44 C45 1.382(5) . ?
 C45 C46 1.392(4) . ?
 C45 C49 1.515(5) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.397(4) . ?
 C47 C50 1.513(4) . ?
 C48 H48A 0.9800 . ?
 C48 H48B 0.9800 . ?
 C48 H48C 0.9800 . ?
 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 C52 1.412(4) . ?
 C51 C56 1.397(4) . ?
 C52 C53 1.394(4) . ?
 C52 C57 1.506(5) . ?
 C53 H53 0.9500 . ?
 C53 C54 1.378(5) . ?
 C54 C55 1.397(4) . ?
 C54 C58 1.518(4) . ?
 C55 H55 0.9500 . ?
 C55 C56 1.397(4) . ?
 C56 C59 1.508(4) . ?
 C57 H57A 0.9800 . ?
 C57 H57B 0.9800 . ?
 C57 H57C 0.9800 . ?
 C58 H58A 0.9800 . ?
 C58 H58B 0.9800 . ?
 C58 H58C 0.9800 . ?
 C59 H59A 0.9800 . ?
 C59 H59B 0.9800 . ?
 C59 H59C 0.9800 . ?
 C60 C61 1.359(13) . ?
 C60 C65 1.431(13) . ?
 C60 C66 1.457(13) . ?
 C61 H61 0.9500 . ?
 C61 C62 1.385(10) . ?
 C62 H62 0.9500 . ?
 C62 C63 1.332(11) . ?
 C63 H63 0.9500 . ?
 C63 C64 1.447(12) . ?
 C64 H64 0.9500 . ?
 C64 C65 1.326(12) . ?
 C65 H65 0.9500 . ?
 C66 H66A 0.9800 . ?
 C66 H66B 0.9800 . ?
 C66 H66C 0.9800 . ?
 C60A C61A 1.383(9) . ?
 C60A C65A 1.399(9) . ?
 C60A C66A 1.474(17) . ?
 C61A H61A 0.9500 . ?
 C61A C62A 1.389(9) . ?
 C62A H62A 0.9500 . ?
 C62A C63A 1.369(9) . ?
 C63A H63A 0.9500 . ?
 C63A C64A 1.402(9) . ?
 C64A H64A 0.9500 . ?
 C64A C65A 1.366(9) . ?
 C65A H65A 0.9500 . ?
 C66A H66D 0.9800 . ?
 C66A H66E 0.9800 . ?
 C66A H66F 0.9800 . ?
 C60B C61B 1.370(16) . ?
 C60B C65B 1.413(17) . ?
 C60B C66B 1.462(18) . ?
 C61B H61B 0.9500 . ?
 C61B C62B 1.382(16) . ?
 C62B H62B 0.9500 . ?
 C62B C63B 1.357(16) . ?
 C63B H63B 0.9500 . ?
 C63B C64B 1.429(16) . ?
 C64B H64B 0.9500 . ?
 C64B C65B 1.347(16) . ?
 C65B H65B 0.9500 . ?
 C66B H66G 0.9800 . ?
 C66B H66H 0.9800 . ?
 C66B H66I 0.9800 . ?
 C67A C68A 1.3900 . ?
 C67A C72A 1.3900 . ?
 C67A C73A 1.537(15) . ?
 C68A H68A 0.9500 . ?
 C68A C69A 1.3900 . ?
 C69A H69A 0.9500 . ?
 C69A C70A 1.3900 . ?
 C70A H70A 0.9500 . ?
 C70A C71A 1.3900 . ?
 C71A H71A 0.9500 . ?
 C71A C72A 1.3900 . ?
 C72A H72A 0.9500 . ?
 C73A H73A 0.9800 . ?
 C73A H73B 0.9800 . ?
 C73A H73C 0.9800 . ?
 C67 C68 1.358(11) . ?
 C67 C72 1.413(10) . ?
 C67 C73 1.541(13) . ?
 C68 H68 0.9500 . ?
 C68 C69 1.340(10) . ?
 C69 H69 0.9500 . ?
 C69 C70 1.430(9) . ?
 C70 H70 0.9500 . ?
 C70 C71 1.402(9) . ?
 C71 H71 0.9500 . ?
 C71 C72 1.370(10) . ?
 C72 H72 0.9500 . ?
 C73 H73D 0.9800 . ?
 C73 H73E 0.9800 . ?
 C73 H73F 0.9800 . ?
 C74 C79 1.3900 . ?
 C74 C75 1.3900 . ?
 C74 C80 1.45(3) . ?
 C79 H79 0.9500 . ?
 C79 C78 1.3900 . ?
 C78 H78 0.9500 . ?
 C78 C77 1.3900 . ?
 C77 H77 0.9500 . ?
 C77 C76 1.3900 . ?
 C76 H76 0.9500 . ?
 C76 C75 1.3900 . ?
 C75 H75 0.9500 . ?
 C80 H80A 0.9800 . ?
 C80 H80B 0.9800 . ?
 C80 H80C 0.9804 . ?

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
 O2 Sn1 N2 58.93(6) . . ?
 O2 Sn1 C2 98.53(8) . . ?
 O2 Sn1 C5 29.43(6) . . ?
 N2 Sn1 C5 30.23(6) . . ?
 C2 Sn1 N2 108.18(8) . . ?
 C2 Sn1 C5 110.08(8) . . ?
 O1 P1 N3 118.82(10) . . ?
 O1 P1 N4 114.78(10) . . ?
 O1 P1 C1 107.19(10) . . ?
 N3 P1 C1 109.90(10) . . ?
 N4 P1 N3 93.07(10) . . ?
 N4 P1 C1 112.73(10) . . ?
 C5 O2 Sn1 93.20(12) . . ?
 C3 N1 C4 120.15(19) . . ?
 C3 N1 C7 118.97(19) . . ?
 C7 N1 C4 120.17(17) . . ?
 C4 N2 Sn1 141.30(14) . . ?
 C5 N2 Sn1 91.06(14) . . ?
 C5 N2 C4 123.37(19) . . ?
 C10 N3 P1 125.58(16) . . ?
 C10 N3 C22 117.29(18) . . ?
 C22 N3 P1 114.10(15) . . ?
 C23 N4 P1 113.81(14) . . ?
 C24 N4 P1 125.20(17) . . ?
 C24 N4 C23 120.91(19) . . ?
 C3 C1 P1 116.57(17) . . ?
 C3 C1 C5 114.29(19) . . ?
 C5 C1 P1 127.55(17) . . ?
 C37 C2 Sn1 132.32(19) . . ?
 C41 C2 Sn1 109.06(17) . . ?
 C41 C2 C37 117.7(2) . . ?
 N1 C3 C1 125.0(2) . . ?
 N1 C3 H3 117.5 . . ?
 C1 C3 H3 117.5 . . ?
 N1 C4 C8 108.08(19) . . ?
 N1 C4 C9 110.93(19) . . ?
 N2 C4 N1 109.45(17) . . ?
 N2 C4 C8 110.11(19) . . ?
 N2 C4 C9 106.85(19) . . ?
 C9 C4 C8 111.4(2) . . ?
 O2 C5 Sn1 57.37(11) . . ?
 O2 C5 N2 114.0(2) . . ?
 O2 C5 C1 124.08(19) . . ?
 N2 C5 Sn1 58.71(12) . . ?
 N2 C5 C1 121.5(2) . . ?
 C1 C5 Sn1 160.86(14) . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C7 C6 H6A 109.5 . . ?
 C7 C6 H6B 109.5 . . ?
 C7 C6 H6C 109.5 . . ?
 N1 C7 C6 109.82(19) . . ?
 N1 C7 H7 107.3 . . ?
 N1 C7 C36 112.45(19) . . ?
 C6 C7 H7 107.3 . . ?
 C36 C7 C6 112.3(2) . . ?
 C36 C7 H7 107.3 . . ?
 C4 C8 H8A 109.5 . . ?
 C4 C8 H8B 109.5 . . ?
 C4 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 C4 C9 H9A 109.5 . . ?
 C4 C9 H9B 109.5 . . ?
 C4 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C11 C10 N3 118.3(2) . . ?
 C11 C10 C15 121.0(2) . . ?
 C15 C10 N3 120.6(2) . . ?
 C10 C11 C16 121.8(2) . . ?
 C12 C11 C10 118.5(2) . . ?
 C12 C11 C16 119.7(2) . . ?
 C11 C12 H12 119.5 . . ?
 C13 C12 C11 121.0(2) . . ?
 C13 C12 H12 119.5 . . ?
 C12 C13 H13 120.0 . . ?
 C12 C13 C14 120.0(2) . . ?
 C14 C13 H13 120.0 . . ?
 C13 C14 H14 119.3 . . ?
 C13 C14 C15 121.5(2) . . ?
 C15 C14 H14 119.3 . . ?
 C10 C15 C19 123.1(2) . . ?
 C14 C15 C10 117.8(2) . . ?
 C14 C15 C19 119.0(2) . . ?
 C11 C16 H16 107.8 . . ?
 C11 C16 C17 110.2(3) . . ?
 C11 C16 C18 111.0(2) . . ?
 C17 C16 H16 107.8 . . ?
 C18 C16 H16 107.8 . . ?
 C18 C16 C17 112.2(3) . . ?
 C16 C17 H17A 109.5 . . ?
 C16 C17 H17B 109.5 . . ?
 C16 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 C16 C18 H18A 109.5 . . ?
 C16 C18 H18B 109.5 . . ?
 C16 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 C15 C19 H19 107.7 . . ?
 C15 C19 C20 112.1(2) . . ?
 C15 C19 C21 110.1(2) . . ?
 C20 C19 H19 107.7 . . ?
 C20 C19 C21 111.5(2) . . ?
 C21 C19 H19 107.7 . . ?
 C19 C20 H20A 109.5 . . ?
 C19 C20 H20B 109.5 . . ?
 C19 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C19 C21 H21A 109.5 . . ?
 C19 C21 H21B 109.5 . . ?
 C19 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 N3 C22 H22A 110.5 . . ?
 N3 C22 H22B 110.5 . . ?
 N3 C22 C23 106.14(18) . . ?
 H22A C22 H22B 108.7 . . ?
 C23 C22 H22A 110.5 . . ?
 C23 C22 H22B 110.5 . . ?
 N4 C23 C22 104.89(19) . . ?
 N4 C23 H23A 110.8 . . ?
 N4 C23 H23B 110.8 . . ?
 C22 C23 H23A 110.8 . . ?
 C22 C23 H23B 110.8 . . ?
 H23A C23 H23B 108.8 . . ?
 C25 C24 N4 119.9(2) . . ?
 C25 C24 C29 120.9(2) . . ?
 C29 C24 N4 119.1(2) . . ?
 C24 C25 C30 122.0(2) . . ?
 C26 C25 C24 118.5(2) . . ?
 C26 C25 C30 119.4(2) . . ?
 C25 C26 H26 119.5 . . ?
 C27 C26 C25 121.0(3) . . ?
 C27 C26 H26 119.5 . . ?
 C26 C27 H27 120.0 . . ?
 C28 C27 C26 119.9(3) . . ?
 C28 C27 H27 120.0 . . ?
 C27 C28 H28 119.3 . . ?
 C27 C28 C29 121.4(3) . . ?
 C29 C28 H28 119.3 . . ?
 C24 C29 C33 122.3(2) . . ?
 C28 C29 C24 118.2(3) . . ?
 C28 C29 C33 119.5(3) . . ?
 C25 C30 H30 107.7 . . ?
 C25 C30 C31 111.8(2) . . ?
 C25 C30 C32 110.2(2) . . ?
 C31 C30 H30 107.7 . . ?
 C31 C30 C32 111.4(2) . . ?
 C32 C30 H30 107.7 . . ?
 C30 C31 H31A 109.5 . . ?
 C30 C31 H31B 109.5 . . ?
 C30 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C30 C32 H32A 109.5 . . ?
 C30 C32 H32B 109.5 . . ?
 C30 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 C29 C33 H33 107.7 . . ?
 C29 C33 C35 110.5(3) . . ?
 C34 C33 C29 111.5(3) . . ?
 C34 C33 H33 107.7 . . ?
 C34 C33 C35 111.5(3) . . ?
 C35 C33 H33 107.7 . . ?
 C33 C34 H34A 109.5 . . ?
 C33 C34 H34B 109.5 . . ?
 C33 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 109.5 . . ?
 C33 C35 H35A 109.5 . . ?
 C33 C35 H35B 109.5 . . ?
 C33 C35 H35C 109.5 . . ?
 H35A C35 H35B 109.5 . . ?
 H35A C35 H35C 109.5 . . ?
 H35B C35 H35C 109.5 . . ?
 C7 C36 H36A 109.5 . . ?
 C7 C36 H36B 109.5 . . ?
 C7 C36 H36C 109.5 . . ?
 H36A C36 H36B 109.5 . . ?
 H36A C36 H36C 109.5 . . ?
 H36B C36 H36C 109.5 . . ?
 C2 C37 C42 122.8(2) . . ?
 C38 C37 C2 119.6(3) . . ?
 C38 C37 C42 117.5(2) . . ?
 C37 C38 H38 119.3 . . ?
 C39 C38 C37 121.4(3) . . ?
 C39 C38 H38 119.3 . . ?
 C38 C39 H39 120.0 . . ?
 C40 C39 C38 119.9(3) . . ?
 C40 C39 H39 120.0 . . ?
 C39 C40 H40 120.1 . . ?
 C39 C40 C41 119.8(3) . . ?
 C41 C40 H40 120.1 . . ?
 C2 C41 C51 120.3(2) . . ?
 C40 C41 C2 121.5(3) . . ?
 C40 C41 C51 118.2(3) . . ?
 C43 C42 C37 120.7(2) . . ?
 C47 C42 C37 120.5(2) . . ?
 C47 C42 C43 118.7(3) . . ?
 C42 C43 C48 121.9(3) . . ?
 C44 C43 C42 119.2(3) . . ?
 C44 C43 C48 118.8(3) . . ?
 C43 C44 H44 118.7 . . ?
 C45 C44 C43 122.6(3) . . ?
 C45 C44 H44 118.7 . . ?
 C44 C45 C46 118.1(3) . . ?
 C44 C45 C49 121.1(3) . . ?
 C46 C45 C49 120.8(3) . . ?
 C45 C46 H46 119.2 . . ?
 C45 C46 C47 121.7(3) . . ?
 C47 C46 H46 119.2 . . ?
 C42 C47 C50 122.6(2) . . ?
 C46 C47 C42 119.7(2) . . ?
 C46 C47 C50 117.7(2) . . ?
 C43 C48 H48A 109.5 . . ?
 C43 C48 H48B 109.5 . . ?
 C43 C48 H48C 109.5 . . ?
 H48A C48 H48B 109.5 . . ?
 H48A C48 H48C 109.5 . . ?
 H48B C48 H48C 109.5 . . ?
 C45 C49 H49A 109.5 . . ?
 C45 C49 H49B 109.5 . . ?
 C45 C49 H49C 109.5 . . ?
 H49A C49 H49B 109.5 . . ?
 H49A C49 H49C 109.5 . . ?
 H49B C49 H49C 109.5 . . ?
 C47 C50 H50A 109.5 . . ?
 C47 C50 H50B 109.5 . . ?
 C47 C50 H50C 109.5 . . ?
 H50A C50 H50B 109.5 . . ?
 H50A C50 H50C 109.5 . . ?
 H50B C50 H50C 109.5 . . ?
 C52 C51 C41 118.7(3) . . ?
 C56 C51 C41 121.1(2) . . ?
 C56 C51 C52 120.2(2) . . ?
 C51 C52 C57 121.3(3) . . ?
 C53 C52 C51 118.6(3) . . ?
 C53 C52 C57 120.0(3) . . ?
 C52 C53 H53 118.9 . . ?
 C54 C53 C52 122.2(3) . . ?
 C54 C53 H53 118.9 . . ?
 C53 C54 C55 118.3(3) . . ?
 C53 C54 C58 121.5(3) . . ?
 C55 C54 C58 120.1(3) . . ?
 C54 C55 H55 119.2 . . ?
 C54 C55 C56 121.5(3) . . ?
 C56 C55 H55 119.2 . . ?
 C51 C56 C55 119.1(3) . . ?
 C51 C56 C59 120.4(2) . . ?
 C55 C56 C59 120.5(3) . . ?
 C52 C57 H57A 109.5 . . ?
 C52 C57 H57B 109.5 . . ?
 C52 C57 H57C 109.5 . . ?
 H57A C57 H57B 109.5 . . ?
 H57A C57 H57C 109.5 . . ?
 H57B C57 H57C 109.5 . . ?
 C54 C58 H58A 109.5 . . ?
 C54 C58 H58B 109.5 . . ?
 C54 C58 H58C 109.5 . . ?
 H58A C58 H58B 109.5 . . ?
 H58A C58 H58C 109.5 . . ?
 H58B C58 H58C 109.5 . . ?
 C56 C59 H59A 109.5 . . ?
 C56 C59 H59B 109.5 . . ?
 C56 C59 H59C 109.5 . . ?
 H59A C59 H59B 109.5 . . ?
 H59A C59 H59C 109.5 . . ?
 H59B C59 H59C 109.5 . . ?
 C61 C60 C65 120.2(9) . . ?
 C61 C60 C66 125.6(10) . . ?
 C65 C60 C66 114.2(12) . . ?
 C60 C61 H61 120.3 . . ?
 C60 C61 C62 119.3(9) . . ?
 C62 C61 H61 120.3 . . ?
 C61 C62 H62 119.9 . . ?
 C63 C62 C61 120.2(8) . . ?
 C63 C62 H62 119.9 . . ?
 C62 C63 H63 119.0 . . ?
 C62 C63 C64 122.0(7) . . ?
 C64 C63 H63 119.0 . . ?
 C63 C64 H64 121.5 . . ?
 C65 C64 C63 117.0(9) . . ?
 C65 C64 H64 121.5 . . ?
 C60 C65 H65 119.5 . . ?
 C64 C65 C60 121.0(9) . . ?
 C64 C65 H65 119.5 . . ?
 C60 C66 H66A 109.5 . . ?
 C60 C66 H66B 109.5 . . ?
 C60 C66 H66C 109.5 . . ?
 H66A C66 H66B 109.5 . . ?
 H66A C66 H66C 109.5 . . ?
 H66B C66 H66C 109.5 . . ?
 C61A C60A C65A 121.1(12) . . ?
 C61A C60A C66A 125.4(13) . . ?
 C65A C60A C66A 113.5(14) . . ?
 C60A C61A H61A 120.4 . . ?
 C60A C61A C62A 119.1(13) . . ?
 C62A C61A H61A 120.4 . . ?
 C61A C62A H62A 121.1 . . ?
 C63A C62A C61A 117.8(13) . . ?
 C63A C62A H62A 121.1 . . ?
 C62A C63A H63A 117.7 . . ?
 C62A C63A C64A 124.6(13) . . ?
 C64A C63A H63A 117.7 . . ?
 C63A C64A H64A 121.9 . . ?
 C65A C64A C63A 116.2(13) . . ?
 C65A C64A H64A 121.9 . . ?
 C60A C65A H65A 119.6 . . ?
 C64A C65A C60A 120.7(12) . . ?
 C64A C65A H65A 119.6 . . ?
 C60A C66A H66D 109.5 . . ?
 C60A C66A H66E 109.5 . . ?
 C60A C66A H66F 109.5 . . ?
 H66D C66A H66E 109.5 . . ?
 H66D C66A H66F 109.5 . . ?
 H66E C66A H66F 109.5 . . ?
 C61B C60B C65B 119.9(13) . . ?
 C61B C60B C66B 124.7(16) . . ?
 C65B C60B C66B 114.7(16) . . ?
 C60B C61B H61B 119.9 . . ?
 C60B C61B C62B 120.2(15) . . ?
 C62B C61B H61B 119.9 . . ?
 C61B C62B H62B 120.8 . . ?
 C63B C62B C61B 118.5(15) . . ?
 C63B C62B H62B 120.8 . . ?
 C62B C63B H63B 118.8 . . ?
 C62B C63B C64B 122.4(14) . . ?
 C64B C63B H63B 118.8 . . ?
 C63B C64B H64B 121.6 . . ?
 C65B C64B C63B 116.8(15) . . ?
 C65B C64B H64B 121.6 . . ?
 C60B C65B H65B 119.7 . . ?
 C64B C65B C60B 120.6(15) . . ?
 C64B C65B H65B 119.7 . . ?
 C60B C66B H66G 109.5 . . ?
 C60B C66B H66H 109.5 . . ?
 C60B C66B H66I 109.5 . . ?
 H66G C66B H66H 109.5 . . ?
 H66G C66B H66I 109.5 . . ?
 H66H C66B H66I 109.5 . . ?
 C68A C67A C72A 120.0 . . ?
 C68A C67A C73A 121.4(11) . . ?
 C72A C67A C73A 118.6(11) . . ?
 C67A C68A H68A 120.0 . . ?
 C69A C68A C67A 120.0 . . ?
 C69A C68A H68A 120.0 . . ?
 C68A C69A H69A 120.0 . . ?
 C70A C69A C68A 120.0 . . ?
 C70A C69A H69A 120.0 . . ?
 C69A C70A H70A 120.0 . . ?
 C69A C70A C71A 120.0 . . ?
 C71A C70A H70A 120.0 . . ?
 C70A C71A H71A 120.0 . . ?
 C70A C71A C72A 120.0 . . ?
 C72A C71A H71A 120.0 . . ?
 C67A C72A H72A 120.0 . . ?
 C71A C72A C67A 120.0 . . ?
 C71A C72A H72A 120.0 . . ?
 C67A C73A H73A 109.5 . . ?
 C67A C73A H73B 109.5 . . ?
 C67A C73A H73C 109.5 . . ?
 H73A C73A H73B 109.5 . . ?
 H73A C73A H73C 109.5 . . ?
 H73B C73A H73C 109.5 . . ?
 C68 C67 C72 118.7(8) . . ?
 C68 C67 C73 126.0(9) . . ?
 C72 C67 C73 114.8(9) . . ?
 C67 C68 H68 117.3 . . ?
 C69 C68 C67 125.3(8) . . ?
 C69 C68 H68 117.3 . . ?
 C68 C69 H69 121.4 . . ?
 C68 C69 C70 117.3(6) . . ?
 C70 C69 H69 121.4 . . ?
 C69 C70 H70 121.1 . . ?
 C71 C70 C69 117.8(5) . . ?
 C71 C70 H70 121.1 . . ?
 C70 C71 H71 118.6 . . ?
 C72 C71 C70 122.9(6) . . ?
 C72 C71 H71 118.6 . . ?
 C67 C72 H72 121.2 . . ?
 C71 C72 C67 117.6(7) . . ?
 C71 C72 H72 121.2 . . ?
 C67 C73 H73D 109.5 . . ?
 C67 C73 H73E 109.5 . . ?
 C67 C73 H73F 109.5 . . ?
 H73D C73 H73E 109.5 . . ?
 H73D C73 H73F 109.5 . . ?
 H73E C73 H73F 109.5 . . ?
 C79 C74 C75 120.0 . . ?
 C79 C74 C80 113.4(16) . . ?
 C75 C74 C80 126.5(16) . . ?
 C74 C79 H79 120.0 . . ?
 C78 C79 C74 120.0 . . ?
 C78 C79 H79 120.0 . . ?
 C79 C78 H78 120.0 . . ?
 C79 C78 C77 120.0 . . ?
 C77 C78 H78 120.0 . . ?
 C78 C77 H77 120.0 . . ?
 C76 C77 C78 120.0 . . ?
 C76 C77 H77 120.0 . . ?
 C77 C76 H76 120.0 . . ?
 C77 C76 C75 120.0 . . ?
 C75 C76 H76 120.0 . . ?
 C74 C75 H75 120.0 . . ?
 C76 C75 C74 120.0 . . ?
 C76 C75 H75 120.0 . . ?
 C74 C80 H80A 110.8 . . ?
 C74 C80 H80B 108.0 . . ?
 C74 C80 H80C 109.6 . . ?
 H80A C80 H80B 109.5 . . ?
 H80A C80 H80C 109.4 . . ?
 H80B C80 H80C 109.4 . . ?

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
 Sn1 O2 C5 N2 16.05(18) . . . . ?
 Sn1 O2 C5 C1 -157.10(18) . . . . ?
 Sn1 N2 C4 N1 -126.6(2) . . . . ?
 Sn1 N2 C4 C8 114.8(2) . . . . ?
 Sn1 N2 C4 C9 -6.4(3) . . . . ?
 Sn1 N2 C5 O2 -15.81(18) . . . . ?
 Sn1 N2 C5 C1 157.54(17) . . . . ?
 Sn1 C2 C37 C38 171.4(2) . . . . ?
 Sn1 C2 C37 C42 -6.8(4) . . . . ?
 Sn1 C2 C41 C40 -174.8(3) . . . . ?
 Sn1 C2 C41 C51 2.7(3) . . . . ?
 P1 N3 C10 C11 110.7(2) . . . . ?
 P1 N3 C10 C15 -72.1(3) . . . . ?
 P1 N3 C22 C23 -18.9(2) . . . . ?
 P1 N4 C23 C22 -28.0(2) . . . . ?
 P1 N4 C24 C25 -93.8(3) . . . . ?
 P1 N4 C24 C29 87.9(3) . . . . ?
 P1 C1 C3 N1 175.40(17) . . . . ?
 P1 C1 C5 Sn1 -93.4(5) . . . . ?
 P1 C1 C5 O2 -5.5(3) . . . . ?
 P1 C1 C5 N2 -178.20(16) . . . . ?
 O1 P1 N3 C10 42.0(2) . . . . ?
 O1 P1 N3 C22 -117.69(17) . . . . ?
 O1 P1 N4 C23 139.53(16) . . . . ?
 O1 P1 N4 C24 -37.2(2) . . . . ?
 O1 P1 C1 C3 14.04(19) . . . . ?
 O1 P1 C1 C5 178.74(18) . . . . ?
 N3 P1 N4 C23 15.72(18) . . . . ?
 N3 P1 N4 C24 -161.0(2) . . . . ?
 N3 P1 C1 C3 144.47(16) . . . . ?
 N3 P1 C1 C5 -50.8(2) . . . . ?
 N3 C10 C11 C12 -178.3(2) . . . . ?
 N3 C10 C11 C16 1.2(4) . . . . ?
 N3 C10 C15 C14 178.2(2) . . . . ?
 N3 C10 C15 C19 -4.6(3) . . . . ?
 N3 C22 C23 N4 27.8(2) . . . . ?
 N4 P1 N3 C10 162.54(19) . . . . ?
 N4 P1 N3 C22 2.87(18) . . . . ?
 N4 P1 C1 C3 -113.21(17) . . . . ?
 N4 P1 C1 C5 51.5(2) . . . . ?
 N4 C24 C25 C26 179.1(2) . . . . ?
 N4 C24 C25 C30 -2.8(4) . . . . ?
 N4 C24 C29 C28 -179.3(3) . . . . ?
 N4 C24 C29 C33 1.1(4) . . . . ?
 C1 P1 N3 C10 -81.9(2) . . . . ?
 C1 P1 N3 C22 118.40(17) . . . . ?
 C1 P1 N4 C23 -97.36(18) . . . . ?
 C1 P1 N4 C24 85.9(2) . . . . ?
 C2 C37 C38 C39 -0.8(5) . . . . ?
 C2 C37 C42 C43 -122.0(3) . . . . ?
 C2 C37 C42 C47 63.1(3) . . . . ?
 C2 C41 C51 C52 -90.3(3) . . . . ?
 C2 C41 C51 C56 91.0(3) . . . . ?
 C3 N1 C4 N2 -26.5(3) . . . . ?
 C3 N1 C4 C8 93.5(2) . . . . ?
 C3 N1 C4 C9 -144.1(2) . . . . ?
 C3 N1 C7 C6 71.9(3) . . . . ?
 C3 N1 C7 C36 -53.9(3) . . . . ?
 C3 C1 C5 Sn1 71.5(5) . . . . ?
 C3 C1 C5 O2 159.5(2) . . . . ?
 C3 C1 C5 N2 -13.2(3) . . . . ?
 C4 N1 C3 C1 12.2(3) . . . . ?
 C4 N1 C7 C6 -117.8(2) . . . . ?
 C4 N1 C7 C36 116.4(2) . . . . ?
 C4 N2 C5 Sn1 -161.2(2) . . . . ?
 C4 N2 C5 O2 -177.04(18) . . . . ?
 C4 N2 C5 C1 -3.7(3) . . . . ?
 C5 N2 C4 N1 22.5(3) . . . . ?
 C5 N2 C4 C8 -96.2(2) . . . . ?
 C5 N2 C4 C9 142.6(2) . . . . ?
 C5 C1 C3 N1 8.7(3) . . . . ?
 C7 N1 C3 C1 -177.5(2) . . . . ?
 C7 N1 C4 N2 163.33(18) . . . . ?
 C7 N1 C4 C8 -76.7(2) . . . . ?
 C7 N1 C4 C9 45.7(3) . . . . ?
 C10 N3 C22 C23 179.6(2) . . . . ?
 C10 C11 C12 C13 -1.3(4) . . . . ?
 C10 C11 C16 C17 -113.2(3) . . . . ?
 C10 C11 C16 C18 121.9(3) . . . . ?
 C10 C15 C19 C20 125.9(3) . . . . ?
 C10 C15 C19 C21 -109.5(3) . . . . ?
 C11 C10 C15 C14 -4.7(3) . . . . ?
 C11 C10 C15 C19 172.5(2) . . . . ?
 C11 C12 C13 C14 -1.7(4) . . . . ?
 C12 C11 C16 C17 66.3(3) . . . . ?
 C12 C11 C16 C18 -58.6(4) . . . . ?
 C12 C13 C14 C15 1.5(4) . . . . ?
 C13 C14 C15 C10 1.7(4) . . . . ?
 C13 C14 C15 C19 -175.6(2) . . . . ?
 C14 C15 C19 C20 -57.0(3) . . . . ?
 C14 C15 C19 C21 67.7(3) . . . . ?
 C15 C10 C11 C12 4.5(4) . . . . ?
 C15 C10 C11 C16 -176.0(2) . . . . ?
 C16 C11 C12 C13 179.2(3) . . . . ?
 C22 N3 C10 C11 -90.2(3) . . . . ?
 C22 N3 C10 C15 87.0(3) . . . . ?
 C23 N4 C24 C25 89.7(3) . . . . ?
 C23 N4 C24 C29 -88.6(3) . . . . ?
 C24 N4 C23 C22 148.9(2) . . . . ?
 C24 C25 C26 C27 1.0(4) . . . . ?
 C24 C25 C30 C31 123.1(3) . . . . ?
 C24 C25 C30 C32 -112.4(3) . . . . ?
 C24 C29 C33 C34 -116.3(3) . . . . ?
 C24 C29 C33 C35 119.1(3) . . . . ?
 C25 C24 C29 C28 2.4(4) . . . . ?
 C25 C24 C29 C33 -177.2(3) . . . . ?
 C25 C26 C27 C28 0.8(5) . . . . ?
 C26 C25 C30 C31 -58.8(3) . . . . ?
 C26 C25 C30 C32 65.7(3) . . . . ?
 C26 C27 C28 C29 -1.1(6) . . . . ?
 C27 C28 C29 C24 -0.5(5) . . . . ?
 C27 C28 C29 C33 179.1(3) . . . . ?
 C28 C29 C33 C34 64.1(4) . . . . ?
 C28 C29 C33 C35 -60.5(4) . . . . ?
 C29 C24 C25 C26 -2.6(4) . . . . ?
 C29 C24 C25 C30 175.5(2) . . . . ?
 C30 C25 C26 C27 -177.1(3) . . . . ?
 C37 C2 C41 C40 -4.2(4) . . . . ?
 C37 C2 C41 C51 173.2(3) . . . . ?
 C37 C38 C39 C40 -1.5(6) . . . . ?
 C37 C42 C43 C44 -178.3(2) . . . . ?
 C37 C42 C43 C48 0.0(4) . . . . ?
 C37 C42 C47 C46 177.5(2) . . . . ?
 C37 C42 C47 C50 0.8(4) . . . . ?
 C38 C37 C42 C43 59.7(4) . . . . ?
 C38 C37 C42 C47 -115.2(3) . . . . ?
 C38 C39 C40 C41 0.9(7) . . . . ?
 C39 C40 C41 C2 2.0(6) . . . . ?
 C39 C40 C41 C51 -175.5(4) . . . . ?
 C40 C41 C51 C52 87.2(4) . . . . ?
 C40 C41 C51 C56 -91.5(4) . . . . ?
 C41 C2 C37 C38 3.6(4) . . . . ?
 C41 C2 C37 C42 -174.6(2) . . . . ?
 C41 C51 C52 C53 -178.6(2) . . . . ?
 C41 C51 C52 C57 1.3(4) . . . . ?
 C41 C51 C56 C55 -179.7(2) . . . . ?
 C41 C51 C56 C59 1.1(4) . . . . ?
 C42 C37 C38 C39 177.5(3) . . . . ?
 C42 C43 C44 C45 2.5(4) . . . . ?
 C43 C42 C47 C46 2.5(3) . . . . ?
 C43 C42 C47 C50 -174.2(2) . . . . ?
 C43 C44 C45 C46 -0.6(4) . . . . ?
 C43 C44 C45 C49 179.5(3) . . . . ?
 C44 C45 C46 C47 -0.3(4) . . . . ?
 C45 C46 C47 C42 -0.7(4) . . . . ?
 C45 C46 C47 C50 176.2(2) . . . . ?
 C47 C42 C43 C44 -3.3(4) . . . . ?
 C47 C42 C43 C48 175.0(2) . . . . ?
 C48 C43 C44 C45 -175.9(3) . . . . ?
 C49 C45 C46 C47 179.6(3) . . . . ?
 C51 C52 C53 C54 -0.9(4) . . . . ?
 C52 C51 C56 C55 1.6(4) . . . . ?
 C52 C51 C56 C59 -177.5(2) . . . . ?
 C52 C53 C54 C55 -0.1(4) . . . . ?
 C52 C53 C54 C58 -179.8(3) . . . . ?
 C53 C54 C55 C56 1.9(4) . . . . ?
 C54 C55 C56 C51 -2.7(4) . . . . ?
 C54 C55 C56 C59 176.5(2) . . . . ?
 C56 C51 C52 C53 0.1(4) . . . . ?
 C56 C51 C52 C57 180.0(3) . . . . ?
 C57 C52 C53 C54 179.3(3) . . . . ?
 C58 C54 C55 C56 -178.3(3) . . . . ?
 C60 C61 C62 C63 3.9(14) . . . . ?
 C61 C60 C65 C64 -0.1(16) . . . . ?
 C61 C62 C63 C64 -5.8(14) . . . . ?
 C62 C63 C64 C65 4.6(16) . . . . ?
 C63 C64 C65 C60 -1.5(16) . . . . ?
 C65 C60 C61 C62 -1.0(15) . . . . ?
 C66 C60 C61 C62 177.6(10) . . . . ?
 C66 C60 C65 C64 -178.8(11) . . . . ?
 C60A C61A C62A C63A -4(2) . . . . ?
 C61A C60A C65A C64A 7(2) . . . . ?
 C61A C62A C63A C64A 7(3) . . . . ?
 C62A C63A C64A C65A -2(3) . . . . ?
 C63A C64A C65A C60A -5(3) . . . . ?
 C65A C60A C61A C62A -2.9(18) . . . . ?
 C66A C60A C61A C62A 178.0(18) . . . . ?
 C66A C60A C65A C64A -173.3(17) . . . . ?
 C60B C61B C62B C63B 8(4) . . . . ?
 C61B C60B C65B C64B 10(4) . . . . ?
 C61B C62B C63B C64B -10(4) . . . . ?
 C62B C63B C64B C65B 12(4) . . . . ?
 C63B C64B C65B C60B -12(4) . . . . ?
 C65B C60B C61B C62B -8(4) . . . . ?
 C66B C60B C61B C62B -178(3) . . . . ?
 C66B C60B C65B C64B -179(3) . . . . ?
 C67A C68A C69A C70A 0.0 . . . . ?
 C68A C67A C72A C71A 0.0 . . . . ?
 C68A C69A C70A C71A 0.0 . . . . ?
 C69A C70A C71A C72A 0.0 . . . . ?
 C70A C71A C72A C67A 0.0 . . . . ?
 C72A C67A C68A C69A 0.0 . . . . ?
 C73A C67A C68A C69A -178.0(12) . . . . ?
 C73A C67A C72A C71A 178.0(12) . . . . ?
 C67 C68 C69 C70 -3.5(15) . . . . ?
 C68 C67 C72 C71 5.0(16) . . . . ?
 C68 C69 C70 C71 6.1(11) . . . . ?
 C69 C70 C71 C72 -3.4(11) . . . . ?
 C70 C71 C72 C67 -2.1(13) . . . . ?
 C72 C67 C68 C69 -2.2(18) . . . . ?
 C73 C67 C68 C69 -173.8(11) . . . . ?
 C73 C67 C72 C71 177.5(9) . . . . ?
 C74 C79 C78 C77 0.0 . . . . ?
 C79 C74 C75 C76 0.0 . . . . ?
 C79 C78 C77 C76 0.0 . . . . ?
 C78 C77 C76 C75 0.0 . . . . ?
 C77 C76 C75 C74 0.0 . . . . ?
 C75 C74 C79 C78 0.0 . . . . ?
 C80 C74 C79 C78 177.1(18) . . . . ?
 C80 C74 C75 C76 -177(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
