data_Compound6
_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           'C51 H65 Cl2 N2 P Sn, 0.5(C6 H14)'
_chemical_formula_sum              'C54 H72 Cl2 N2 P Sn'
_chemical_formula_weight           969.69
_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'
 'Cl' 'Cl' 0.3281 0.5435 '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                     11.9561(7)
_cell_length_b                     24.0786(14)
_cell_length_c                     18.3093(11)
_cell_angle_alpha                  90
_cell_angle_beta                   107.000(3)
_cell_angle_gamma                  90
_cell_volume                       5040.7(5)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9893
_cell_measurement_temperature      100.0(2)
_cell_measurement_theta_max        56.147
_cell_measurement_theta_min        2.716
_shelx_estimated_absorpt_T_max     0.682
_shelx_estimated_absorpt_T_min     0.567
_exptl_absorpt_coefficient_mu      3.771
_exptl_absorpt_correction_T_max    0.7510
_exptl_absorpt_correction_T_min    0.5033
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1642 before and 0.0828 after correction.
The Ratio of minimum to maximum transmission is 0.6702.
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      1.278
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               2036
_exptl_crystal_size_max            0.17
_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    0.0909
_diffrn_reflns_av_unetI/netI       0.0330
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.986
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         29
_diffrn_reflns_limit_k_min         -29
_diffrn_reflns_limit_l_max         22
_diffrn_reflns_limit_l_min         -22
_diffrn_reflns_number              128923
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.986
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           56.516
_diffrn_reflns_theta_min           2.715
_diffrn_ambient_temperature        100.0(2)
_diffrn_detector                   'CCD area detector'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.986
_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                  8917
_reflns_number_total               10010
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.904
_refine_diff_density_min           -1.202
_refine_diff_density_rms           0.114
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.114
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       641
_refine_ls_number_reflns           10010
_refine_ls_number_restraints       240
_refine_ls_R_factor_all            0.0574
_refine_ls_R_factor_gt             0.0517
_refine_ls_restrained_S_all        1.109
_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)+(0.0485P)²+23.0081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1319
_refine_ls_wR_factor_ref           0.1348
_refine_special_details
;
All the carbon atoms of the free guest solvent hexane, which cross symmetry element inversion center, was refined as disorder on two sites with occupancies of 0.305:0.195 (C52~C57:C52A~C57A). The bond lengths and 1,3-distance of the disordered hexane were restrained to the target values of 1.54 and 2.515 angstrom with effective standard deviations of 0.01 and 0.02, respectively, by applying SHELXL DFIX and DANG instructions:
DFIX 1.54 0.01 C53 C52 C54 C53 C55 C54 C56 C55 C57 C56
DANG 2.515 0.02 C52 C54 C53 C55 C54 C56 C55 C57
The two disordered components were restrained with default effective standard deviation (0.02 0.04) to have the same geometric structures by applying SHELXL SAME instruction:
SAME 0.02 0.02 C52A C53A C54A C55A C56A C57A
Some carbon atoms of the disordered hexane were restrained with an effective standard deviation of 0.01 and 0.02 to approximate their Uij components to isotropic behavior. This was achieved by applying the following SHELXL ISOR instruction:
ISOR 0.01 0.02 C52 C53 C54A C53A C54 C55 C55A C56A C57A C57 C56
Additionally, the carbon atom C52A was restrained with an effective standard deviation of 0.003 and 0.006 to approximate its Uij components to isotropic behavior, as otherwise, it would become non-positive definite.
ISOR 0.003 0.006 C52A
Reflections where |Error/esd| > 9 were omitted in the refinement by applying SHELXL OMIT instructions:
OMIT -3 3 15
OMIT -8 1 3
OMIT -3 1 14
OMIT -3 4 13
OMIT -3 7 15
OMIT -2 10 7
OMIT -9 6 17
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
 C53-C52 = C54-C53 = C55-C54 = C56-C55 = C57-C56
 1.54 with sigma of 0.01
 C52-C54 = C53-C55 = C54-C56 = C55-C57
 2.515 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
C52 \\sim C52A \\sim C53A \\sim C53 \\sim C54A \\sim C54 \\sim C55 \\sim C55A
\\sim C56 \\sim C56A \\sim C57 \\sim C57A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C54A) \\sim Ueq, Uanis(C53A)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C55A) \\sim Ueq,
Uanis(C56A) \\sim Ueq, Uanis(C57A) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C56)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C52A) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006
3. Same fragment restrains
{C52A, C53A, C54A, C55A, C56A, C57A} sigma for 1-2: 0.02, 1-3: 0.02
as in
{C52, C53, C54, C55, C56, C57}
4. Others
 Sof(C52A)=Sof(H52D)=Sof(H52E)=Sof(H52F)=Sof(C53A)=Sof(H53C)=Sof(H53D)=
 Sof(C54A)=Sof(H54C)=Sof(H54D)=Sof(C55A)=Sof(H55C)=Sof(H55D)=Sof(C56A)=
 Sof(H56C)=Sof(H56D)=Sof(C57A)=Sof(H57D)=Sof(H57E)=Sof(H57F)=0.5*(1-FVAR(2))
 Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(H52C)=Sof(C53)=Sof(H53A)=Sof(H53B)=Sof(C54)=
 Sof(H54A)=Sof(H54B)=Sof(C55)=Sof(H55A)=Sof(H55B)=Sof(C56)=Sof(H56A)=Sof(H56B)=
 Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=0.5*FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C8(H8), C25(H25), C22(H22), C11(H11)
5.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C14(H14A,H14B), C15(H15A,H15B), C53(H53A,H53B), C54(H54A,H54B),
 C55(H55A,H55B), C56(H56A,H56B), C53A(H53C,H53D), C54A(H54C,H54D), C55A(H55C,
 H55D), C56A(H56C,H56D)
5.c Aromatic/amide H refined with riding coordinates:
 C32(H32), C30(H30), C31(H31), C4(H4), C6(H6), C45(H45), C36(H36), C38(H38),
 C20(H20), C47(H47), C5(H5), C18(H18), C19(H19)
5.d Idealised Me refined as rotating group:
 C51(H51A,H51B,H51C), C26(H26A,H26B,H26C), C10(H10A,H10B,H10C), C24(H24A,H24B,
 H24C), C40(H40A,H40B,H40C), C9(H9A,H9B,H9C), C27(H27A,H27B,H27C), C49(H49A,
 H49B,H49C), C13(H13A,H13B,H13C), C23(H23A,H23B,H23C), C41(H41A,H41B,H41C),
 C12(H12A,H12B,H12C), C50(H50A,H50B,H50C), C42(H42A,H42B,H42C), C52(H52A,H52B,
 H52C), C57(H57A,H57B,H57C), C52A(H52D,H52E,H52F), C57A(H57D,H57E,H57F)
;
_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
 Sn1 Sn 0.48695(2) 0.74004(2) 0.60325(2) 0.01778(9) Uani 1 1 d . . . . .
 Cl1 Cl 0.38084(9) 0.67543(4) 0.65095(6) 0.0255(2) Uani 1 1 d . . . . .
 Cl2 Cl 0.38973(9) 0.81997(4) 0.62864(6) 0.0260(2) Uani 1 1 d . . . . .
 P1 P 0.77216(9) 0.69499(4) 0.69456(6) 0.0191(2) Uani 1 1 d . . . . .
 N1 N 0.8759(3) 0.72765(14) 0.7679(2) 0.0210(7) Uani 1 1 d . . . . .
 N2 N 0.7630(3) 0.64178(15) 0.7530(2) 0.0227(7) Uani 1 1 d . . . . .
 C2 C 0.4682(4) 0.73445(17) 0.4829(2) 0.0186(8) Uani 1 1 d . . . . .
 C29 C 0.4207(3) 0.68779(17) 0.4400(2) 0.0191(8) Uani 1 1 d . . . . .
 C33 C 0.5084(4) 0.78004(17) 0.4498(2) 0.0188(8) Uani 1 1 d . . . . .
 C32 C 0.4984(4) 0.77848(19) 0.3721(2) 0.0256(9) Uani 1 1 d . . . . .
 H32 H 0.523522 0.809293 0.348496 0.031 Uiso 1 1 calc R U . . .
 C34 C 0.3718(4) 0.64007(17) 0.4723(2) 0.0201(8) Uani 1 1 d . . . . .
 C30 C 0.4138(4) 0.68701(19) 0.3622(2) 0.0236(9) Uani 1 1 d . . . . .
 H30 H 0.382580 0.655344 0.332231 0.028 Uiso 1 1 calc R U . . .
 C3 C 0.6616(4) 0.55145(18) 0.7380(2) 0.0237(9) Uani 1 1 d . . . . .
 C28 C 0.7540(4) 0.58441(17) 0.7292(2) 0.0217(9) Uani 1 1 d . . . . .
 C31 C 0.4518(4) 0.7318(2) 0.3288(2) 0.0272(10) Uani 1 1 d . . . . .
 H31 H 0.446026 0.730835 0.275976 0.033 Uiso 1 1 calc R U . . .
 C35 C 0.4446(4) 0.59594(17) 0.5075(2) 0.0222(9) Uani 1 1 d . . . . .
 C39 C 0.2529(4) 0.63946(18) 0.4667(2) 0.0224(9) Uani 1 1 d . . . . .
 C48 C 0.6803(4) 0.83074(18) 0.5347(2) 0.0238(9) Uani 1 1 d . . . . .
 C7 C 0.8362(4) 0.56123(18) 0.6961(2) 0.0227(9) Uani 1 1 d . . . . .
 C17 C 1.0067(4) 0.7864(2) 0.7205(3) 0.0277(10) Uani 1 1 d . . . . .
 C44 C 0.4900(4) 0.87632(18) 0.4973(3) 0.0264(9) Uani 1 1 d . . . . .
 C1 C 0.6482(4) 0.74233(18) 0.6918(2) 0.0222(8) Uani 1 1 d . . . . .
 H1A H 0.678623 0.780655 0.692912 0.027 Uiso 1 1 calc R U . . .
 H1B H 0.629086 0.736870 0.740384 0.027 Uiso 1 1 calc R U . . .
 C16 C 0.9231(4) 0.78127(18) 0.7602(2) 0.0216(8) Uani 1 1 d . . . . .
 C14 C 0.8049(4) 0.65713(19) 0.8344(2) 0.0255(9) Uani 1 1 d . . . . .
 H14A H 0.833879 0.623974 0.866331 0.031 Uiso 1 1 calc R U . . .
 H14B H 0.741126 0.674194 0.851131 0.031 Uiso 1 1 calc R U . . .
 C43 C 0.5604(4) 0.83018(17) 0.4957(2) 0.0214(8) Uani 1 1 d . . . . .
 C8 C 0.5793(4) 0.57189(19) 0.7817(3) 0.0278(10) Uani 1 1 d . . . . .
 H8 H 0.581671 0.613404 0.782288 0.033 Uiso 1 1 calc R U . . .
 C15 C 0.9040(4) 0.69875(19) 0.8413(2) 0.0258(9) Uani 1 1 d . . . . .
 H15A H 0.908373 0.725337 0.883313 0.031 Uiso 1 1 calc R U . . .
 H15B H 0.979991 0.679297 0.851612 0.031 Uiso 1 1 calc R U . . .
 C21 C 0.8860(4) 0.82842(18) 0.7935(2) 0.0237(9) Uani 1 1 d . . . . .
 C25 C 0.7936(4) 0.82676(19) 0.8361(3) 0.0250(9) Uani 1 1 d . . . . .
 H25 H 0.760173 0.788400 0.831123 0.030 Uiso 1 1 calc R U . . .
 C4 C 0.6485(4) 0.49755(18) 0.7093(3) 0.0267(9) Uani 1 1 d . . . . .
 H4 H 0.587117 0.474982 0.716041 0.032 Uiso 1 1 calc R U . . .
 C6 C 0.8172(4) 0.50761(19) 0.6657(3) 0.0260(9) Uani 1 1 d . . . . .
 H6 H 0.869721 0.492446 0.640826 0.031 Uiso 1 1 calc R U . . .
 C45 C 0.5405(5) 0.92190(19) 0.5418(3) 0.0316(11) Uani 1 1 d . . . . .
 H45 H 0.492873 0.952915 0.544747 0.038 Uiso 1 1 calc R U . . .
 C51 C 0.7591(4) 0.7833(2) 0.5280(3) 0.0283(10) Uani 1 1 d . . . . .
 H51A H 0.726557 0.748347 0.540270 0.042 Uiso 1 1 calc R U . . .
 H51B H 0.837070 0.789093 0.563749 0.042 Uiso 1 1 calc R U . . .
 H51C H 0.764713 0.781643 0.475759 0.042 Uiso 1 1 calc R U . . .
 C36 C 0.3945(4) 0.55120(18) 0.5356(3) 0.0266(9) Uani 1 1 d . . . . .
 H36 H 0.442928 0.521108 0.559398 0.032 Uiso 1 1 calc R U . . .
 C38 C 0.2059(4) 0.59418(19) 0.4948(3) 0.0264(9) Uani 1 1 d . . . . .
 H38 H 0.124667 0.593682 0.490339 0.032 Uiso 1 1 calc R U . . .
 C26 C 0.8458(4) 0.8393(2) 0.9214(3) 0.0300(10) Uani 1 1 d . . . . .
 H26A H 0.905198 0.811304 0.944582 0.045 Uiso 1 1 calc R U . . .
 H26B H 0.783762 0.838298 0.946472 0.045 Uiso 1 1 calc R U . . .
 H26C H 0.881958 0.876170 0.927818 0.045 Uiso 1 1 calc R U . . .
 C20 C 0.9362(4) 0.87989(19) 0.7864(3) 0.0303(10) Uani 1 1 d . . . . .
 H20 H 0.913565 0.911803 0.809082 0.036 Uiso 1 1 calc R U . . .
 C47 C 0.7268(5) 0.8773(2) 0.5780(3) 0.0315(10) Uani 1 1 d . . . . .
 H47 H 0.807502 0.877670 0.605586 0.038 Uiso 1 1 calc R U . . .
 C10 C 0.6221(5) 0.5515(2) 0.8647(3) 0.0363(11) Uani 1 1 d . . . . .
 H10A H 0.572371 0.567108 0.893642 0.054 Uiso 1 1 calc R U . . .
 H10B H 0.703103 0.563575 0.887727 0.054 Uiso 1 1 calc R U . . .
 H10C H 0.618311 0.510885 0.865675 0.054 Uiso 1 1 calc R U . . .
 C46 C 0.6588(5) 0.9231(2) 0.5819(3) 0.0344(11) Uani 1 1 d . . . . .
 C22 C 1.0514(4) 0.7357(2) 0.6876(3) 0.0286(10) Uani 1 1 d . . . . .
 H22 H 0.985943 0.708328 0.672039 0.034 Uiso 1 1 calc R U . . .
 C24 C 1.0925(4) 0.7481(2) 0.6172(3) 0.0360(11) Uani 1 1 d . . . . .
 H24A H 1.162027 0.771817 0.632018 0.054 Uiso 1 1 calc R U . . .
 H24B H 1.029960 0.767117 0.578523 0.054 Uiso 1 1 calc R U . . .
 H24C H 1.111561 0.713139 0.596082 0.054 Uiso 1 1 calc R U . . .
 C40 C 0.5740(4) 0.59644(19) 0.5164(3) 0.0280(10) Uani 1 1 d . . . . .
 H40A H 0.586478 0.598064 0.465821 0.042 Uiso 1 1 calc R U . . .
 H40B H 0.609897 0.562587 0.542743 0.042 Uiso 1 1 calc R U . . .
 H40C H 0.609858 0.628996 0.546257 0.042 Uiso 1 1 calc R U . . .
 C37 C 0.2758(4) 0.54960(19) 0.5295(3) 0.0285(10) Uani 1 1 d . . . . .
 C11 C 0.9497(4) 0.59013(19) 0.6959(3) 0.0267(9) Uani 1 1 d . . . . .
 H11 H 0.950273 0.627741 0.719113 0.032 Uiso 1 1 calc R U . . .
 C5 C 0.7231(4) 0.47626(19) 0.6714(3) 0.0291(10) Uani 1 1 d . . . . .
 H5 H 0.709853 0.440276 0.649223 0.035 Uiso 1 1 calc R U . . .
 C9 C 0.4518(4) 0.5539(2) 0.7470(3) 0.0328(11) Uani 1 1 d . . . . .
 H9A H 0.445678 0.513594 0.751878 0.049 Uiso 1 1 calc R U . . .
 H9B H 0.425566 0.564235 0.692843 0.049 Uiso 1 1 calc R U . . .
 H9C H 0.402558 0.572465 0.773984 0.049 Uiso 1 1 calc R U . . .
 C27 C 0.6933(4) 0.8673(2) 0.8011(3) 0.0316(10) Uani 1 1 d . . . . .
 H27A H 0.722075 0.905541 0.810460 0.047 Uiso 1 1 calc R U . . .
 H27B H 0.630290 0.861491 0.824537 0.047 Uiso 1 1 calc R U . . .
 H27C H 0.663476 0.860819 0.745965 0.047 Uiso 1 1 calc R U . . .
 C49 C 0.3623(5) 0.8774(2) 0.4523(3) 0.0359(11) Uani 1 1 d . . . . .
 H49A H 0.355001 0.882160 0.397905 0.054 Uiso 1 1 calc R U . . .
 H49B H 0.323580 0.908347 0.469808 0.054 Uiso 1 1 calc R U . . .
 H49C H 0.325439 0.842360 0.459784 0.054 Uiso 1 1 calc R U . . .
 C18 C 1.0523(4) 0.8390(2) 0.7141(3) 0.0324(11) Uani 1 1 d . . . . .
 H18 H 1.107792 0.843137 0.686463 0.039 Uiso 1 1 calc R U . . .
 C19 C 1.0184(4) 0.8852(2) 0.7470(3) 0.0334(11) Uani 1 1 d . . . . .
 H19 H 1.051345 0.920448 0.742578 0.040 Uiso 1 1 calc R U . . .
 C13 C 0.9603(5) 0.5980(2) 0.6150(3) 0.0374(12) Uani 1 1 d . . . . .
 H13A H 1.033309 0.617509 0.617772 0.056 Uiso 1 1 calc R U . . .
 H13B H 0.893823 0.619884 0.584615 0.056 Uiso 1 1 calc R U . . .
 H13C H 0.960400 0.561616 0.591057 0.056 Uiso 1 1 calc R U . . .
 C23 C 1.1509(4) 0.7087(2) 0.7497(3) 0.0367(11) Uani 1 1 d . . . . .
 H23A H 1.180081 0.676320 0.728452 0.055 Uiso 1 1 calc R U . . .
 H23B H 1.121858 0.696929 0.792057 0.055 Uiso 1 1 calc R U . . .
 H23C H 1.214471 0.735556 0.768333 0.055 Uiso 1 1 calc R U . . .
 C41 C 0.2235(5) 0.5014(2) 0.5609(3) 0.0409(12) Uani 1 1 d . . . . .
 H41A H 0.252992 0.466482 0.546207 0.061 Uiso 1 1 calc R U . . .
 H41B H 0.138087 0.502468 0.540117 0.061 Uiso 1 1 calc R U . . .
 H41C H 0.245367 0.504046 0.616699 0.061 Uiso 1 1 calc R U . . .
 C12 C 1.0549(5) 0.5576(2) 0.7456(4) 0.0425(13) Uani 1 1 d . . . . .
 H12A H 1.057435 0.520835 0.723278 0.064 Uiso 1 1 calc R U . . .
 H12B H 1.047311 0.553503 0.797201 0.064 Uiso 1 1 calc R U . . .
 H12C H 1.127133 0.577798 0.748143 0.064 Uiso 1 1 calc R U . . .
 C50 C 0.7114(7) 0.9731(2) 0.6303(4) 0.0529(16) Uani 1 1 d . . . . .
 H50A H 0.777731 0.987057 0.614502 0.079 Uiso 1 1 calc R U . . .
 H50B H 0.738409 0.962120 0.684203 0.079 Uiso 1 1 calc R U . . .
 H50C H 0.652139 1.002242 0.623536 0.079 Uiso 1 1 calc R U . . .
 C42 C 0.1751(4) 0.6884(2) 0.4319(3) 0.0291(10) Uani 1 1 d . . . . .
 H42A H 0.202013 0.721664 0.463037 0.044 Uiso 1 1 calc R U . . .
 H42B H 0.094236 0.680248 0.430483 0.044 Uiso 1 1 calc R U . . .
 H42C H 0.179074 0.694962 0.379908 0.044 Uiso 1 1 calc R U . . .
 C52 C 1.142(2) 0.9331(10) 0.5693(15) 0.055(5) Uani 0.305(6) 1 d D U P A -1
 H52A H 1.099421 0.903690 0.535434 0.082 Uiso 0.305(6) 1 calc R U P A -1
 H52B H 1.176277 0.918003 0.620690 0.082 Uiso 0.305(6) 1 calc R U P A -1
 H52C H 1.204626 0.947301 0.549671 0.082 Uiso 0.305(6) 1 calc R U P A -1
 C53 C 1.0580(18) 0.9804(10) 0.5724(11) 0.065(4) Uani 0.305(6) 1 d D U P A -1
 H53A H 1.101286 1.014933 0.591775 0.078 Uiso 0.305(6) 1 calc R U P A -1
 H53B H 1.008750 0.970427 0.605478 0.078 Uiso 0.305(6) 1 calc R U P A -1
 C54 C 0.9823(18) 0.9873(9) 0.4878(11) 0.067(4) Uani 0.305(6) 1 d D U P A -1
 H54A H 1.026493 1.008760 0.459338 0.080 Uiso 0.305(6) 1 calc R U P A -1
 H54B H 0.964577 0.950297 0.463597 0.080 Uiso 0.305(6) 1 calc R U P A -1
 C55 C 0.8683(17) 1.0173(10) 0.4839(15) 0.087(4) Uani 0.305(6) 1 d D U P A -1
 H55A H 0.865578 1.027659 0.535696 0.104 Uiso 0.305(6) 1 calc R U P A -1
 H55B H 0.800110 0.993505 0.459621 0.104 Uiso 0.305(6) 1 calc R U P A -1
 C56 C 0.868(4) 1.0696(10) 0.4354(16) 0.075(5) Uani 0.305(6) 1 d D U P A -1
 H56A H 0.909541 1.062209 0.396724 0.090 Uiso 0.305(6) 1 calc R U P A -1
 H56B H 0.787210 1.081255 0.408847 0.090 Uiso 0.305(6) 1 calc R U P A -1
 C57 C 0.932(3) 1.1145(10) 0.491(3) 0.054(7) Uani 0.305(6) 1 d D U P A -1
 H57A H 0.895288 1.150580 0.474918 0.081 Uiso 0.305(6) 1 calc R U P A -1
 H57B H 1.014151 1.115730 0.492164 0.081 Uiso 0.305(6) 1 calc R U P A -1
 H57C H 0.926779 1.105855 0.542521 0.081 Uiso 0.305(6) 1 calc R U P A -1
 C52A C 1.086(4) 0.8880(12) 0.512(3) 0.028(6) Uani 0.195(6) 1 d D U P A -2
 H52D H 1.119281 0.865146 0.479117 0.042 Uiso 0.195(6) 1 calc R U P A -2
 H52E H 1.015466 0.870263 0.517533 0.042 Uiso 0.195(6) 1 calc R U P A -2
 H52F H 1.143839 0.891736 0.562430 0.042 Uiso 0.195(6) 1 calc R U P A -2
 C53A C 1.057(4) 0.9443(11) 0.4771(18) 0.061(4) Uani 0.195(6) 1 d D U P A -2
 H53C H 0.992036 0.941927 0.428827 0.073 Uiso 0.195(6) 1 calc R U P A -2
 H53D H 1.125328 0.961531 0.466497 0.073 Uiso 0.195(6) 1 calc R U P A -2
 C54A C 1.018(4) 0.9783(11) 0.539(2) 0.071(4) Uani 0.195(6) 1 d D U P A -2
 H54C H 0.931973 0.976860 0.527546 0.086 Uiso 0.195(6) 1 calc R U P A -2
 H54D H 1.053525 0.961972 0.589885 0.086 Uiso 0.195(6) 1 calc R U P A -2
 C55A C 1.057(3) 1.0373(11) 0.538(2) 0.075(4) Uani 0.195(6) 1 d D U P A -2
 H55C H 1.079385 1.045124 0.491196 0.090 Uiso 0.195(6) 1 calc R U P A -2
 H55D H 1.124542 1.045027 0.583067 0.090 Uiso 0.195(6) 1 calc R U P A -2
 C56A C 0.950(4) 1.0731(14) 0.540(2) 0.077(5) Uani 0.195(6) 1 d D U P A -2
 H56C H 0.886310 1.049451 0.546807 0.092 Uiso 0.195(6) 1 calc R U P A -2
 H56D H 0.972672 1.100154 0.582823 0.092 Uiso 0.195(6) 1 calc R U P A -2
 C57A C 0.914(4) 1.1027(18) 0.464(2) 0.054(7) Uani 0.195(6) 1 d D U P A -2
 H57D H 0.870825 1.076828 0.424256 0.082 Uiso 0.195(6) 1 calc R U P A -2
 H57E H 0.983110 1.116260 0.451513 0.082 Uiso 0.195(6) 1 calc R U P A -2
 H57F H 0.862948 1.134144 0.466727 0.082 Uiso 0.195(6) 1 calc R U P A -2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Sn1 Cl1 2.3326(10) . ?
 Sn1 Cl2 2.3638(10) . ?
 Sn1 C2 2.153(4) . ?
 Sn1 C1 2.126(4) . ?
 P1 N1 1.728(4) . ?
 P1 N2 1.693(4) . ?
 P1 C1 1.859(4) . ?
 N1 C16 1.432(6) . ?
 N1 C15 1.463(6) . ?
 N2 C28 1.443(5) . ?
 N2 C14 1.475(5) . ?
 C2 C29 1.393(6) . ?
 C2 C33 1.405(6) . ?
 C29 C34 1.487(6) . ?
 C29 C30 1.402(6) . ?
 C33 C32 1.393(6) . ?
 C33 C43 1.498(6) . ?
 C32 H32 0.9500 . ?
 C32 C31 1.393(7) . ?
 C34 C35 1.405(6) . ?
 C34 C39 1.395(6) . ?
 C30 H30 0.9500 . ?
 C30 C31 1.381(6) . ?
 C3 C28 1.408(6) . ?
 C3 C8 1.521(6) . ?
 C3 C4 1.391(6) . ?
 C28 C7 1.412(6) . ?
 C31 H31 0.9500 . ?
 C35 C36 1.401(6) . ?
 C35 C40 1.508(6) . ?
 C39 C38 1.393(6) . ?
 C39 C42 1.521(6) . ?
 C48 C43 1.402(6) . ?
 C48 C51 1.508(6) . ?
 C48 C47 1.391(6) . ?
 C7 C6 1.398(6) . ?
 C7 C11 1.526(6) . ?
 C17 C16 1.404(6) . ?
 C17 C22 1.524(7) . ?
 C17 C18 1.398(7) . ?
 C44 C43 1.400(6) . ?
 C44 C45 1.394(7) . ?
 C44 C49 1.508(7) . ?
 C1 H1A 0.9900 . ?
 C1 H1B 0.9900 . ?
 C16 C21 1.419(6) . ?
 C14 H14A 0.9900 . ?
 C14 H14B 0.9900 . ?
 C14 C15 1.528(6) . ?
 C8 H8 1.0000 . ?
 C8 C10 1.535(7) . ?
 C8 C9 1.532(7) . ?
 C15 H15A 0.9900 . ?
 C15 H15B 0.9900 . ?
 C21 C25 1.528(6) . ?
 C21 C20 1.400(6) . ?
 C25 H25 1.0000 . ?
 C25 C26 1.534(6) . ?
 C25 C27 1.534(6) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.379(7) . ?
 C6 H6 0.9500 . ?
 C6 C5 1.384(7) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.391(8) . ?
 C51 H51A 0.9800 . ?
 C51 H51B 0.9800 . ?
 C51 H51C 0.9800 . ?
 C36 H36 0.9500 . ?
 C36 C37 1.392(7) . ?
 C38 H38 0.9500 . ?
 C38 C37 1.394(7) . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C20 H20 0.9500 . ?
 C20 C19 1.384(7) . ?
 C47 H47 0.9500 . ?
 C47 C46 1.384(7) . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C46 C50 1.517(7) . ?
 C22 H22 1.0000 . ?
 C22 C24 1.536(7) . ?
 C22 C23 1.530(7) . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C40 H40A 0.9800 . ?
 C40 H40B 0.9800 . ?
 C40 H40C 0.9800 . ?
 C37 C41 1.509(6) . ?
 C11 H11 1.0000 . ?
 C11 C13 1.533(7) . ?
 C11 C12 1.534(7) . ?
 C5 H5 0.9500 . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 C49 H49A 0.9800 . ?
 C49 H49B 0.9800 . ?
 C49 H49C 0.9800 . ?
 C18 H18 0.9500 . ?
 C18 C19 1.379(7) . ?
 C19 H19 0.9500 . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?
 C41 H41A 0.9800 . ?
 C41 H41B 0.9800 . ?
 C41 H41C 0.9800 . ?
 C12 H12A 0.9800 . ?
 C12 H12B 0.9800 . ?
 C12 H12C 0.9800 . ?
 C50 H50A 0.9800 . ?
 C50 H50B 0.9800 . ?
 C50 H50C 0.9800 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C52 H52A 0.9800 . ?
 C52 H52B 0.9800 . ?
 C52 H52C 0.9800 . ?
 C52 C53 1.531(10) . ?
 C53 H53A 0.9900 . ?
 C53 H53B 0.9900 . ?
 C53 C54 1.557(10) . ?
 C54 H54A 0.9900 . ?
 C54 H54B 0.9900 . ?
 C54 C55 1.526(10) . ?
 C55 H55A 0.9900 . ?
 C55 H55B 0.9900 . ?
 C55 C56 1.539(10) . ?
 C56 H56A 0.9900 . ?
 C56 H56B 0.9900 . ?
 C56 C57 1.529(10) . ?
 C57 H57A 0.9800 . ?
 C57 H57B 0.9800 . ?
 C57 H57C 0.9800 . ?
 C52A H52D 0.9800 . ?
 C52A H52E 0.9800 . ?
 C52A H52F 0.9800 . ?
 C52A C53A 1.50(2) . ?
 C53A H53C 0.9900 . ?
 C53A H53D 0.9900 . ?
 C53A C54A 1.57(2) . ?
 C54A H54C 0.9900 . ?
 C54A H54D 0.9900 . ?
 C54A C55A 1.49(2) . ?
 C55A H55C 0.9900 . ?
 C55A H55D 0.9900 . ?
 C55A C56A 1.55(2) . ?
 C56A H56C 0.9900 . ?
 C56A H56D 0.9900 . ?
 C56A C57A 1.52(2) . ?
 C57A H57D 0.9800 . ?
 C57A H57E 0.9800 . ?
 C57A H57F 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
 Cl1 Sn1 Cl2 96.71(4) . . ?
 C2 Sn1 Cl1 115.86(11) . . ?
 C2 Sn1 Cl2 110.01(11) . . ?
 C1 Sn1 Cl1 101.71(12) . . ?
 C1 Sn1 Cl2 102.56(12) . . ?
 C1 Sn1 C2 125.58(16) . . ?
 N1 P1 C1 97.32(18) . . ?
 N2 P1 N1 91.02(18) . . ?
 N2 P1 C1 106.42(19) . . ?
 C16 N1 P1 123.2(3) . . ?
 C16 N1 C15 121.8(3) . . ?
 C15 N1 P1 114.7(3) . . ?
 C28 N2 P1 123.1(3) . . ?
 C28 N2 C14 121.2(3) . . ?
 C14 N2 P1 112.6(3) . . ?
 C29 C2 Sn1 122.0(3) . . ?
 C29 C2 C33 121.4(4) . . ?
 C33 C2 Sn1 116.5(3) . . ?
 C2 C29 C34 122.9(4) . . ?
 C2 C29 C30 118.4(4) . . ?
 C30 C29 C34 118.6(4) . . ?
 C2 C33 C43 121.7(4) . . ?
 C32 C33 C2 118.8(4) . . ?
 C32 C33 C43 119.5(4) . . ?
 C33 C32 H32 119.9 . . ?
 C33 C32 C31 120.2(4) . . ?
 C31 C32 H32 119.9 . . ?
 C35 C34 C29 120.3(4) . . ?
 C39 C34 C29 119.3(4) . . ?
 C39 C34 C35 120.4(4) . . ?
 C29 C30 H30 119.7 . . ?
 C31 C30 C29 120.7(4) . . ?
 C31 C30 H30 119.7 . . ?
 C28 C3 C8 121.9(4) . . ?
 C4 C3 C28 119.2(4) . . ?
 C4 C3 C8 118.8(4) . . ?
 C3 C28 N2 119.8(4) . . ?
 C3 C28 C7 119.6(4) . . ?
 C7 C28 N2 120.6(4) . . ?
 C32 C31 H31 119.8 . . ?
 C30 C31 C32 120.5(4) . . ?
 C30 C31 H31 119.8 . . ?
 C34 C35 C40 121.4(4) . . ?
 C36 C35 C34 118.4(4) . . ?
 C36 C35 C40 120.2(4) . . ?
 C34 C39 C42 120.5(4) . . ?
 C38 C39 C34 119.6(4) . . ?
 C38 C39 C42 119.8(4) . . ?
 C43 C48 C51 121.4(4) . . ?
 C47 C48 C43 118.5(4) . . ?
 C47 C48 C51 120.1(4) . . ?
 C28 C7 C11 123.5(4) . . ?
 C6 C7 C28 118.9(4) . . ?
 C6 C7 C11 117.5(4) . . ?
 C16 C17 C22 121.4(4) . . ?
 C18 C17 C16 118.5(4) . . ?
 C18 C17 C22 120.1(4) . . ?
 C43 C44 C49 121.4(4) . . ?
 C45 C44 C43 118.5(4) . . ?
 C45 C44 C49 120.1(4) . . ?
 Sn1 C1 H1A 106.6 . . ?
 Sn1 C1 H1B 106.6 . . ?
 P1 C1 Sn1 122.9(2) . . ?
 P1 C1 H1A 106.6 . . ?
 P1 C1 H1B 106.6 . . ?
 H1A C1 H1B 106.6 . . ?
 C17 C16 N1 119.4(4) . . ?
 C17 C16 C21 120.8(4) . . ?
 C21 C16 N1 119.8(4) . . ?
 N2 C14 H14A 110.6 . . ?
 N2 C14 H14B 110.6 . . ?
 N2 C14 C15 105.9(4) . . ?
 H14A C14 H14B 108.7 . . ?
 C15 C14 H14A 110.6 . . ?
 C15 C14 H14B 110.6 . . ?
 C48 C43 C33 119.3(4) . . ?
 C44 C43 C33 119.9(4) . . ?
 C44 C43 C48 120.9(4) . . ?
 C3 C8 H8 108.0 . . ?
 C3 C8 C10 109.7(4) . . ?
 C3 C8 C9 114.1(4) . . ?
 C10 C8 H8 108.0 . . ?
 C9 C8 H8 108.0 . . ?
 C9 C8 C10 108.9(4) . . ?
 N1 C15 C14 105.8(3) . . ?
 N1 C15 H15A 110.6 . . ?
 N1 C15 H15B 110.6 . . ?
 C14 C15 H15A 110.6 . . ?
 C14 C15 H15B 110.6 . . ?
 H15A C15 H15B 108.7 . . ?
 C16 C21 C25 124.2(4) . . ?
 C20 C21 C16 118.2(4) . . ?
 C20 C21 C25 117.7(4) . . ?
 C21 C25 H25 107.9 . . ?
 C21 C25 C26 112.1(4) . . ?
 C21 C25 C27 111.3(4) . . ?
 C26 C25 H25 107.9 . . ?
 C26 C25 C27 109.7(4) . . ?
 C27 C25 H25 107.9 . . ?
 C3 C4 H4 119.4 . . ?
 C5 C4 C3 121.3(4) . . ?
 C5 C4 H4 119.4 . . ?
 C7 C6 H6 119.5 . . ?
 C5 C6 C7 121.0(4) . . ?
 C5 C6 H6 119.5 . . ?
 C44 C45 H45 119.2 . . ?
 C46 C45 C44 121.6(4) . . ?
 C46 C45 H45 119.2 . . ?
 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 . . ?
 C35 C36 H36 119.1 . . ?
 C37 C36 C35 121.8(4) . . ?
 C37 C36 H36 119.1 . . ?
 C39 C38 H38 119.4 . . ?
 C39 C38 C37 121.2(4) . . ?
 C37 C38 H38 119.4 . . ?
 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 . . ?
 C21 C20 H20 119.4 . . ?
 C19 C20 C21 121.2(4) . . ?
 C19 C20 H20 119.4 . . ?
 C48 C47 H47 119.0 . . ?
 C46 C47 C48 121.9(5) . . ?
 C46 C47 H47 119.0 . . ?
 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 . . ?
 C45 C46 C50 120.6(5) . . ?
 C47 C46 C45 118.5(4) . . ?
 C47 C46 C50 120.8(5) . . ?
 C17 C22 H22 107.7 . . ?
 C17 C22 C24 114.3(4) . . ?
 C17 C22 C23 109.5(4) . . ?
 C24 C22 H22 107.7 . . ?
 C23 C22 H22 107.7 . . ?
 C23 C22 C24 109.7(4) . . ?
 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 . . ?
 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 . . ?
 C36 C37 C38 118.5(4) . . ?
 C36 C37 C41 121.2(5) . . ?
 C38 C37 C41 120.4(5) . . ?
 C7 C11 H11 107.9 . . ?
 C7 C11 C13 112.5(4) . . ?
 C7 C11 C12 109.9(4) . . ?
 C13 C11 H11 107.9 . . ?
 C13 C11 C12 110.6(4) . . ?
 C12 C11 H11 107.9 . . ?
 C4 C5 C6 119.6(4) . . ?
 C4 C5 H5 120.2 . . ?
 C6 C5 H5 120.2 . . ?
 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 . . ?
 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 . . ?
 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 . . ?
 C17 C18 H18 119.3 . . ?
 C19 C18 C17 121.5(5) . . ?
 C19 C18 H18 119.3 . . ?
 C20 C19 H19 120.1 . . ?
 C18 C19 C20 119.8(5) . . ?
 C18 C19 H19 120.1 . . ?
 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 . . ?
 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 . . ?
 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 . . ?
 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 . . ?
 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 . . ?
 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 . . ?
 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 111.0 . . ?
 C52 C53 H53B 111.0 . . ?
 C52 C53 C54 103.9(11) . . ?
 H53A C53 H53B 109.0 . . ?
 C54 C53 H53A 111.0 . . ?
 C54 C53 H53B 111.0 . . ?
 C53 C54 H54A 109.6 . . ?
 C53 C54 H54B 109.6 . . ?
 H54A C54 H54B 108.1 . . ?
 C55 C54 C53 110.4(12) . . ?
 C55 C54 H54A 109.6 . . ?
 C55 C54 H54B 109.6 . . ?
 C54 C55 H55A 110.7 . . ?
 C54 C55 H55B 110.7 . . ?
 C54 C55 C56 105.3(12) . . ?
 H55A C55 H55B 108.8 . . ?
 C56 C55 H55A 110.7 . . ?
 C56 C55 H55B 110.7 . . ?
 C55 C56 H56A 110.5 . . ?
 C55 C56 H56B 110.5 . . ?
 H56A C56 H56B 108.7 . . ?
 C57 C56 C55 106.0(13) . . ?
 C57 C56 H56A 110.5 . . ?
 C57 C56 H56B 110.5 . . ?
 C56 C57 H57A 109.5 . . ?
 C56 C57 H57B 109.5 . . ?
 C56 C57 H57C 109.5 . . ?
 H57A C57 H57B 109.5 . . ?
 H57A C57 H57C 109.5 . . ?
 H57B C57 H57C 109.5 . . ?
 H52D C52A H52E 109.5 . . ?
 H52D C52A H52F 109.5 . . ?
 H52E C52A H52F 109.5 . . ?
 C53A C52A H52D 109.5 . . ?
 C53A C52A H52E 109.5 . . ?
 C53A C52A H52F 109.5 . . ?
 C52A C53A H53C 110.9 . . ?
 C52A C53A H53D 110.9 . . ?
 C52A C53A C54A 104.4(19) . . ?
 H53C C53A H53D 108.9 . . ?
 C54A C53A H53C 110.9 . . ?
 C54A C53A H53D 110.9 . . ?
 C53A C54A H54C 109.8 . . ?
 C53A C54A H54D 109.8 . . ?
 H54C C54A H54D 108.2 . . ?
 C55A C54A C53A 110(2) . . ?
 C55A C54A H54C 109.8 . . ?
 C55A C54A H54D 109.8 . . ?
 C54A C55A H55C 110.6 . . ?
 C54A C55A H55D 110.6 . . ?
 C54A C55A C56A 106(2) . . ?
 H55C C55A H55D 108.7 . . ?
 C56A C55A H55C 110.6 . . ?
 C56A C55A H55D 110.6 . . ?
 C55A C56A H56C 110.8 . . ?
 C55A C56A H56D 110.8 . . ?
 H56C C56A H56D 108.8 . . ?
 C57A C56A C55A 105(2) . . ?
 C57A C56A H56C 110.8 . . ?
 C57A C56A H56D 110.8 . . ?
 C56A C57A H57D 109.5 . . ?
 C56A C57A H57E 109.5 . . ?
 C56A C57A H57F 109.5 . . ?
 H57D C57A H57E 109.5 . . ?
 H57D C57A H57F 109.5 . . ?
 H57E C57A H57F 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
 Sn1 C2 C29 C34 4.4(6) . . . . ?
 Sn1 C2 C29 C30 -178.7(3) . . . . ?
 Sn1 C2 C33 C32 179.9(3) . . . . ?
 Sn1 C2 C33 C43 -0.6(5) . . . . ?
 P1 N1 C16 C17 -76.2(5) . . . . ?
 P1 N1 C16 C21 104.5(4) . . . . ?
 P1 N1 C15 C14 -16.4(4) . . . . ?
 P1 N2 C28 C3 -125.8(4) . . . . ?
 P1 N2 C28 C7 53.1(5) . . . . ?
 P1 N2 C14 C15 -33.5(4) . . . . ?
 N1 P1 N2 C28 -139.2(4) . . . . ?
 N1 P1 N2 C14 21.1(3) . . . . ?
 N1 P1 C1 Sn1 169.9(2) . . . . ?
 N1 C16 C21 C25 -2.0(6) . . . . ?
 N1 C16 C21 C20 178.5(4) . . . . ?
 N2 P1 N1 C16 -176.2(3) . . . . ?
 N2 P1 N1 C15 -1.8(3) . . . . ?
 N2 P1 C1 Sn1 -96.9(3) . . . . ?
 N2 C28 C7 C6 -172.7(4) . . . . ?
 N2 C28 C7 C11 11.4(6) . . . . ?
 N2 C14 C15 N1 29.8(5) . . . . ?
 C2 C29 C34 C35 -88.6(5) . . . . ?
 C2 C29 C34 C39 91.8(5) . . . . ?
 C2 C29 C30 C31 -0.8(6) . . . . ?
 C2 C33 C32 C31 -1.4(7) . . . . ?
 C2 C33 C43 C48 86.8(5) . . . . ?
 C2 C33 C43 C44 -95.1(5) . . . . ?
 C29 C2 C33 C32 1.0(6) . . . . ?
 C29 C2 C33 C43 -179.5(4) . . . . ?
 C29 C34 C35 C36 -178.6(4) . . . . ?
 C29 C34 C35 C40 2.2(6) . . . . ?
 C29 C34 C39 C38 178.2(4) . . . . ?
 C29 C34 C39 C42 -3.3(6) . . . . ?
 C29 C30 C31 C32 0.4(7) . . . . ?
 C33 C2 C29 C34 -176.8(4) . . . . ?
 C33 C2 C29 C30 0.1(6) . . . . ?
 C33 C32 C31 C30 0.7(7) . . . . ?
 C32 C33 C43 C48 -93.8(5) . . . . ?
 C32 C33 C43 C44 84.4(5) . . . . ?
 C34 C29 C30 C31 176.2(4) . . . . ?
 C34 C35 C36 C37 -0.2(6) . . . . ?
 C34 C39 C38 C37 0.8(6) . . . . ?
 C30 C29 C34 C35 94.5(5) . . . . ?
 C30 C29 C34 C39 -85.1(5) . . . . ?
 C3 C28 C7 C6 6.3(6) . . . . ?
 C3 C28 C7 C11 -169.7(4) . . . . ?
 C3 C4 C5 C6 4.2(7) . . . . ?
 C28 N2 C14 C15 127.2(4) . . . . ?
 C28 C3 C8 C10 -94.9(5) . . . . ?
 C28 C3 C8 C9 142.6(4) . . . . ?
 C28 C3 C4 C5 -1.2(7) . . . . ?
 C28 C7 C6 C5 -3.4(6) . . . . ?
 C28 C7 C11 C13 -122.9(5) . . . . ?
 C28 C7 C11 C12 113.3(5) . . . . ?
 C35 C34 C39 C38 -1.4(6) . . . . ?
 C35 C34 C39 C42 177.1(4) . . . . ?
 C35 C36 C37 C38 -0.4(7) . . . . ?
 C35 C36 C37 C41 -179.3(4) . . . . ?
 C39 C34 C35 C36 1.1(6) . . . . ?
 C39 C34 C35 C40 -178.2(4) . . . . ?
 C39 C38 C37 C36 0.0(7) . . . . ?
 C39 C38 C37 C41 178.9(4) . . . . ?
 C48 C47 C46 C45 0.6(7) . . . . ?
 C48 C47 C46 C50 179.2(5) . . . . ?
 C7 C6 C5 C4 -1.8(7) . . . . ?
 C17 C16 C21 C25 178.6(4) . . . . ?
 C17 C16 C21 C20 -0.9(6) . . . . ?
 C17 C18 C19 C20 -1.0(8) . . . . ?
 C44 C45 C46 C47 -0.9(7) . . . . ?
 C44 C45 C46 C50 -179.6(5) . . . . ?
 C1 P1 N1 C16 -69.5(4) . . . . ?
 C1 P1 N1 C15 104.8(3) . . . . ?
 C1 P1 N2 C28 122.9(4) . . . . ?
 C1 P1 N2 C14 -76.8(3) . . . . ?
 C16 N1 C15 C14 158.0(4) . . . . ?
 C16 C17 C22 C24 152.2(4) . . . . ?
 C16 C17 C22 C23 -84.3(5) . . . . ?
 C16 C17 C18 C19 1.2(7) . . . . ?
 C16 C21 C25 C26 112.8(5) . . . . ?
 C16 C21 C25 C27 -124.0(5) . . . . ?
 C16 C21 C20 C19 1.2(7) . . . . ?
 C14 N2 C28 C3 75.6(5) . . . . ?
 C14 N2 C28 C7 -105.5(5) . . . . ?
 C43 C33 C32 C31 179.1(4) . . . . ?
 C43 C48 C47 C46 -1.5(7) . . . . ?
 C43 C44 C45 C46 2.2(7) . . . . ?
 C8 C3 C28 N2 -8.5(6) . . . . ?
 C8 C3 C28 C7 172.5(4) . . . . ?
 C8 C3 C4 C5 -177.9(4) . . . . ?
 C15 N1 C16 C17 109.9(5) . . . . ?
 C15 N1 C16 C21 -69.5(5) . . . . ?
 C21 C20 C19 C18 -0.3(8) . . . . ?
 C25 C21 C20 C19 -178.4(4) . . . . ?
 C4 C3 C28 N2 174.9(4) . . . . ?
 C4 C3 C28 C7 -4.0(6) . . . . ?
 C4 C3 C8 C10 81.7(5) . . . . ?
 C4 C3 C8 C9 -40.9(6) . . . . ?
 C6 C7 C11 C13 61.1(5) . . . . ?
 C6 C7 C11 C12 -62.7(5) . . . . ?
 C45 C44 C43 C33 178.8(4) . . . . ?
 C45 C44 C43 C48 -3.1(6) . . . . ?
 C51 C48 C43 C33 3.4(6) . . . . ?
 C51 C48 C43 C44 -174.8(4) . . . . ?
 C51 C48 C47 C46 176.1(4) . . . . ?
 C20 C21 C25 C26 -67.7(5) . . . . ?
 C20 C21 C25 C27 55.6(5) . . . . ?
 C47 C48 C43 C33 -179.1(4) . . . . ?
 C47 C48 C43 C44 2.8(6) . . . . ?
 C22 C17 C16 N1 -2.2(6) . . . . ?
 C22 C17 C16 C21 177.2(4) . . . . ?
 C22 C17 C18 C19 -176.3(5) . . . . ?
 C40 C35 C36 C37 179.0(4) . . . . ?
 C11 C7 C6 C5 172.8(4) . . . . ?
 C49 C44 C43 C33 -1.4(6) . . . . ?
 C49 C44 C43 C48 176.8(4) . . . . ?
 C49 C44 C45 C46 -177.7(4) . . . . ?
 C18 C17 C16 N1 -179.6(4) . . . . ?
 C18 C17 C16 C21 -0.2(7) . . . . ?
 C18 C17 C22 C24 -30.4(6) . . . . ?
 C18 C17 C22 C23 93.1(5) . . . . ?
 C42 C39 C38 C37 -177.6(4) . . . . ?
 C52 C53 C54 C55 160(2) . . . . ?
 C53 C54 C55 C56 121(2) . . . . ?
 C54 C55 C56 C57 -88(3) . . . . ?
 C52A C53A C54A C55A 145(3) . . . . ?
 C53A C54A C55A C56A 135(3) . . . . ?
 C54A C55A C56A C57A -114(4) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
