data_Compound5
_audit_creation_date               2024-03-24
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C57 H73 N2 P Sn'
_chemical_formula_sum              'C57 H73 N2 P Sn'
_chemical_formula_weight           935.83
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sn' 'Sn' 0.1164 4.3256 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        '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                     11.6540(19)
_cell_length_b                     12.776(2)
_cell_length_c                     19.943(3)
_cell_angle_alpha                  101.845(5)
_cell_angle_beta                   93.525(5)
_cell_angle_gamma                  115.657(5)
_cell_volume                       2581.2(7)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9121
_cell_measurement_temperature      100.0(2)
_cell_measurement_theta_max        56.17
_cell_measurement_theta_min        3.52
_shelx_estimated_absorpt_T_max     0.610
_shelx_estimated_absorpt_T_min     0.540
_exptl_absorpt_coefficient_mu      3.051
_exptl_absorpt_correction_T_max    0.7510
_exptl_absorpt_correction_T_min    0.6092
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1404 before and 0.0744 after correction.
The Ratio of minimum to maximum transmission is 0.8112.
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      1.204
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               988
_exptl_crystal_size_max            0.23
_exptl_crystal_size_mid            0.21
_exptl_crystal_size_min            0.18
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0519
_diffrn_reflns_av_unetI/netI       0.0343
_diffrn_reflns_Laue_measured_fraction_full  0.993
_diffrn_reflns_Laue_measured_fraction_max  0.984
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         15
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         24
_diffrn_reflns_limit_l_min         -24
_diffrn_reflns_number              63314
_diffrn_reflns_point_group_measured_fraction_full  0.993
_diffrn_reflns_point_group_measured_fraction_max  0.984
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           56.196
_diffrn_reflns_theta_min           3.518
_diffrn_ambient_temperature        100.0(2)
_diffrn_detector                   'CCD area detector'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.993
_diffrn_measured_fraction_theta_max  0.984
_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
_diffrn_special_details            ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  9920
_reflns_number_total               10117
_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           1.491
_refine_diff_density_min           -1.206
_refine_diff_density_rms           0.076
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.031
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       566
_refine_ls_number_reflns           10117
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0328
_refine_ls_R_factor_gt             0.0324
_refine_ls_restrained_S_all        1.031
_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)+(0.0589P)²+1.2168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0862
_refine_ls_wR_factor_ref           0.0865
_refine_special_details
;
All reflections where |Error/esd| > 9 were omitted in the refinement by applying SHELXL OMIT instructions:
OMIT 1 0 0
OMIT 0 -3 5
OMIT 8 -11 12
These SHELXL restraints were applied to ensure stable refinement and to maintain the chemical reasonableness of the structure's geometry.
;
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C16(H16), C25(H25), C28(H28), C13(H13)
1.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C3(H3A,H3B), C6(H6A,H6B), C5(H5A,H5B)
1.c Aromatic/amide H refined with riding coordinates:
 C45(H45), C46(H46), C47(H47), C40(H40), C10(H10), C11(H11), C51(H51), C9(H9),
 C53(H53), C38(H38), C21(H21), C22(H22), C23(H23)
1.d Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C57(H57A,H57B,H57C), C42(H42A,H42B,H42C), C55(H55A,H55B,
 H55C), C56(H56A,H56B,H56C), C18(H18A,H18B,H18C), C43(H43A,H43B,H43C), C17(H17A,
 H17B,H17C), C30(H30A,H30B,H30C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C),
 C26(H26A,H26B,H26C), C33(H33A,H33B,H33C), C29(H29A,H29B,H29C), C34(H34A,H34B,
 H34C), C27(H27A,H27B,H27C)
;
_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 0.44989(2) 0.37726(2) 0.24462(2) 0.01978(6) Uani 1 1 d . . . . .
 P1 P 0.17343(4) 0.38897(4) 0.27373(2) 0.02163(10) Uani 1 1 d . . . . .
 N2 N 0.06914(15) 0.28426(14) 0.30800(9) 0.0242(3) Uani 1 1 d . . . . .
 N1 N 0.08171(16) 0.45848(16) 0.27228(9) 0.0274(3) Uani 1 1 d . . . . .
 C19 C 0.08077(18) 0.17945(16) 0.31563(10) 0.0225(4) Uani 1 1 d . . . . .
 C35 C 0.61427(17) 0.55719(16) 0.16243(9) 0.0206(3) Uani 1 1 d . . . . .
 C48 C 0.53002(17) 0.35016(16) 0.09657(9) 0.0206(3) Uani 1 1 d . . . . .
 C41 C 0.74693(18) 0.68739(17) 0.27900(10) 0.0243(4) Uani 1 1 d . . . . .
 C1 C 0.3049(2) 0.4309(2) 0.24594(11) 0.0298(4) Uani 1 1 d . . . . .
 C36 C 0.64162(17) 0.65416(16) 0.22731(9) 0.0209(3) Uani 1 1 d . . . . .
 C45 C 0.66142(18) 0.59477(17) 0.10433(10) 0.0234(4) Uani 1 1 d . . . . .
 H45 H 0.708193 0.678228 0.107535 0.028 Uiso 1 1 calc R U . . .
 C2 C 0.54554(17) 0.43344(16) 0.15916(9) 0.0194(3) Uani 1 1 d . . . . .
 C4 C 0.4037(2) 0.19797(17) 0.25437(11) 0.0270(4) Uani 1 1 d . . . . .
 H4A H 0.320005 0.161467 0.270568 0.032 Uiso 1 1 calc R U . . .
 H4B H 0.400060 0.145141 0.209516 0.032 Uiso 1 1 calc R U . . .
 C12 C 0.09578(18) 0.58521(17) 0.19327(10) 0.0233(4) Uani 1 1 d . . . . .
 C46 C 0.64094(18) 0.51215(18) 0.04222(10) 0.0242(4) Uani 1 1 d . . . . .
 H46 H 0.670646 0.538365 0.002475 0.029 Uiso 1 1 calc R U . . .
 C47 C 0.57626(18) 0.39021(17) 0.03881(9) 0.0228(4) Uani 1 1 d . . . . .
 H47 H 0.563228 0.333076 -0.003471 0.027 Uiso 1 1 calc R U . . .
 C20 C 0.14807(19) 0.18545(18) 0.37816(10) 0.0268(4) Uani 1 1 d . . . . .
 C7 C 0.12949(18) 0.57648(17) 0.26008(10) 0.0233(4) Uani 1 1 d . . . . .
 C49 C 0.46521(18) 0.21665(16) 0.08749(9) 0.0215(4) Uani 1 1 d . . . . .
 C37 C 0.56888(18) 0.71860(17) 0.23311(10) 0.0232(4) Uani 1 1 d . . . . .
 C40 C 0.77620(19) 0.78332(18) 0.33671(10) 0.0278(4) Uani 1 1 d . . . . .
 H40 H 0.845667 0.804482 0.372679 0.033 Uiso 1 1 calc R U . . .
 C44 C 0.8334(2) 0.6269(2) 0.27208(11) 0.0316(4) Uani 1 1 d . . . . .
 H44A H 0.780343 0.539844 0.254352 0.047 Uiso 1 1 calc R U . . .
 H44B H 0.883916 0.644453 0.317688 0.047 Uiso 1 1 calc R U . . .
 H44C H 0.891984 0.657126 0.239719 0.047 Uiso 1 1 calc R U . . .
 C3 C 0.5712(2) 0.43627(19) 0.34372(10) 0.0294(4) Uani 1 1 d . . . . .
 H3A H 0.654639 0.506487 0.345361 0.035 Uiso 1 1 calc R U . . .
 H3B H 0.528458 0.458168 0.381701 0.035 Uiso 1 1 calc R U . . .
 C6 C -0.0560(2) 0.2861(2) 0.30927(13) 0.0342(5) Uani 1 1 d . . . . .
 H6A H -0.089272 0.267752 0.352129 0.041 Uiso 1 1 calc R U . . .
 H6B H -0.120165 0.226091 0.268518 0.041 Uiso 1 1 calc R U . . .
 C5 C -0.03036(19) 0.41407(18) 0.30718(11) 0.0281(4) Uani 1 1 d . . . . .
 H5A H -0.106222 0.412569 0.280942 0.034 Uiso 1 1 calc R U . . .
 H5B H -0.011547 0.465883 0.354843 0.034 Uiso 1 1 calc R U . . .
 C24 C 0.02459(19) 0.07424(18) 0.26133(11) 0.0280(4) Uani 1 1 d . . . . .
 C50 C 0.53464(18) 0.15891(17) 0.10845(10) 0.0238(4) Uani 1 1 d . . . . .
 C39 C 0.7059(2) 0.84886(18) 0.34285(10) 0.0284(4) Uani 1 1 d . . . . .
 C10 C 0.2173(2) 0.80176(18) 0.23442(11) 0.0282(4) Uani 1 1 d . . . . .
 H10 H 0.247826 0.878901 0.225685 0.034 Uiso 1 1 calc R U . . .
 C54 C 0.33638(18) 0.14838(17) 0.05381(9) 0.0233(4) Uani 1 1 d . . . . .
 C16 C 0.0172(2) 0.47392(19) 0.13426(10) 0.0284(4) Uani 1 1 d . . . . .
 H16 H -0.033385 0.406566 0.155168 0.034 Uiso 1 1 calc R U . . .
 C11 C 0.14014(19) 0.69972(18) 0.18208(10) 0.0257(4) Uani 1 1 d . . . . .
 H11 H 0.116807 0.707590 0.137572 0.031 Uiso 1 1 calc R U . . .
 C57 C 0.2589(2) 0.20900(19) 0.03207(11) 0.0300(4) Uani 1 1 d . . . . .
 H57A H 0.297363 0.250194 -0.003240 0.045 Uiso 1 1 calc R U . . .
 H57B H 0.259589 0.267618 0.072626 0.045 Uiso 1 1 calc R U . . .
 H57C H 0.169664 0.148385 0.012766 0.045 Uiso 1 1 calc R U . . .
 C52 C 0.3491(2) -0.03548(17) 0.05953(10) 0.0258(4) Uani 1 1 d . . . . .
 C51 C 0.4756(2) 0.03358(18) 0.09383(10) 0.0268(4) Uani 1 1 d . . . . .
 H51 H 0.523143 -0.005124 0.107693 0.032 Uiso 1 1 calc R U . . .
 C42 C 0.4559(2) 0.68593(19) 0.17820(11) 0.0298(4) Uani 1 1 d . . . . .
 H42A H 0.484644 0.689465 0.133201 0.045 Uiso 1 1 calc R U . . .
 H42B H 0.420148 0.742698 0.190464 0.045 Uiso 1 1 calc R U . . .
 H42C H 0.389268 0.604350 0.175197 0.045 Uiso 1 1 calc R U . . .
 C8 C 0.20606(19) 0.67855(19) 0.31390(10) 0.0263(4) Uani 1 1 d . . . . .
 C9 C 0.2497(2) 0.79082(19) 0.29971(11) 0.0288(4) Uani 1 1 d . . . . .
 H9 H 0.302721 0.861182 0.335587 0.035 Uiso 1 1 calc R U . . .
 C53 C 0.28036(19) 0.02312(17) 0.04066(10) 0.0256(4) Uani 1 1 d . . . . .
 H53 H 0.192910 -0.023340 0.018204 0.031 Uiso 1 1 calc R U . . .
 C55 C 0.6710(2) 0.22987(19) 0.14850(12) 0.0311(4) Uani 1 1 d . . . . .
 H55A H 0.668733 0.258802 0.197623 0.047 Uiso 1 1 calc R U . . .
 H55B H 0.718850 0.298589 0.129638 0.047 Uiso 1 1 calc R U . . .
 H55C H 0.713938 0.178228 0.144190 0.047 Uiso 1 1 calc R U . . .
 C38 C 0.6027(2) 0.81462(17) 0.29042(10) 0.0270(4) Uani 1 1 d . . . . .
 H38 H 0.553943 0.858325 0.294043 0.032 Uiso 1 1 calc R U . . .
 C21 C 0.1522(2) 0.0805(2) 0.38619(12) 0.0353(5) Uani 1 1 d . . . . .
 H21 H 0.196899 0.082076 0.428169 0.042 Uiso 1 1 calc R U . . .
 C31 C 0.5910(2) 0.3282(2) 0.34953(11) 0.0307(4) Uani 1 1 d . . . . .
 C22 C 0.0927(2) -0.0247(2) 0.33421(14) 0.0400(5) Uani 1 1 d . . . . .
 H22 H 0.094763 -0.095350 0.341039 0.048 Uiso 1 1 calc R U . . .
 C23 C 0.0305(2) -0.02797(19) 0.27266(13) 0.0375(5) Uani 1 1 d . . . . .
 H23 H -0.009377 -0.100955 0.237035 0.045 Uiso 1 1 calc R U . . .
 C25 C 0.2118(2) 0.2997(2) 0.43643(11) 0.0355(5) Uani 1 1 d . . . . .
 H25 H 0.233193 0.369152 0.415408 0.043 Uiso 1 1 calc R U . . .
 C28 C -0.0394(2) 0.0687(2) 0.19101(11) 0.0363(5) Uani 1 1 d . . . . .
 H28 H -0.029171 0.150801 0.191710 0.044 Uiso 1 1 calc R U . . .
 C56 C 0.2892(2) -0.17112(18) 0.04169(11) 0.0334(5) Uani 1 1 d . . . . .
 H56A H 0.317912 -0.200218 -0.000124 0.050 Uiso 1 1 calc R U . . .
 H56B H 0.194848 -0.204721 0.033125 0.050 Uiso 1 1 calc R U . . .
 H56C H 0.315993 -0.196350 0.080500 0.050 Uiso 1 1 calc R U . . .
 C18 C -0.0790(2) 0.4900(2) 0.08678(12) 0.0355(5) Uani 1 1 d . . . . .
 H18A H -0.031724 0.554239 0.064572 0.053 Uiso 1 1 calc R U . . .
 H18B H -0.136047 0.511340 0.114398 0.053 Uiso 1 1 calc R U . . .
 H18C H -0.130668 0.414802 0.050979 0.053 Uiso 1 1 calc R U . . .
 C43 C 0.7439(3) 0.9561(2) 0.40380(12) 0.0415(5) Uani 1 1 d . . . . .
 H43A H 0.712077 0.928610 0.444480 0.062 Uiso 1 1 calc R U . . .
 H43B H 0.706061 1.006743 0.392326 0.062 Uiso 1 1 calc R U . . .
 H43C H 0.838233 1.002700 0.414196 0.062 Uiso 1 1 calc R U . . .
 C32 C 0.5142(2) 0.2189(2) 0.30796(12) 0.0323(4) Uani 1 1 d . . . . .
 C17 C 0.1074(2) 0.4390(2) 0.09261(12) 0.0374(5) Uani 1 1 d . . . . .
 H17A H 0.055884 0.364625 0.056131 0.056 Uiso 1 1 calc R U . . .
 H17B H 0.165904 0.426430 0.123785 0.056 Uiso 1 1 calc R U . . .
 H17C H 0.157945 0.503473 0.071341 0.056 Uiso 1 1 calc R U . . .
 C13 C 0.2410(2) 0.6716(2) 0.38718(11) 0.0323(4) Uani 1 1 d . . . . .
 H13 H 0.202458 0.584676 0.386895 0.039 Uiso 1 1 calc R U . . .
 C30 C -0.1847(2) -0.0186(2) 0.17588(13) 0.0432(6) Uani 1 1 d . . . . .
 H30A H -0.222224 -0.020948 0.129910 0.065 Uiso 1 1 calc R U . . .
 H30B H -0.227339 0.008767 0.211303 0.065 Uiso 1 1 calc R U . . .
 H30C H -0.197099 -0.099174 0.176770 0.065 Uiso 1 1 calc R U . . .
 C14 C 0.3866(2) 0.7249(3) 0.40920(13) 0.0462(6) Uani 1 1 d . . . . .
 H14A H 0.426988 0.810808 0.411087 0.069 Uiso 1 1 calc R U . . .
 H14B H 0.421145 0.683976 0.375453 0.069 Uiso 1 1 calc R U . . .
 H14C H 0.405249 0.714325 0.455229 0.069 Uiso 1 1 calc R U . . .
 C15 C 0.1800(3) 0.7307(3) 0.43782(12) 0.0490(7) Uani 1 1 d . . . . .
 H15A H 0.193788 0.717332 0.483661 0.073 Uiso 1 1 calc R U . . .
 H15B H 0.087094 0.695381 0.420740 0.073 Uiso 1 1 calc R U . . .
 H15C H 0.219987 0.817178 0.441522 0.073 Uiso 1 1 calc R U . . .
 C26 C 0.3376(2) 0.3163(3) 0.47663(13) 0.0455(6) Uani 1 1 d . . . . .
 H26A H 0.383618 0.398093 0.506909 0.068 Uiso 1 1 calc R U . . .
 H26B H 0.392027 0.303087 0.443723 0.068 Uiso 1 1 calc R U . . .
 H26C H 0.317401 0.258293 0.504945 0.068 Uiso 1 1 calc R U . . .
 C33 C 0.6991(2) 0.3552(3) 0.40628(13) 0.0450(6) Uani 1 1 d . . . . .
 H33A H 0.780047 0.417419 0.398818 0.067 Uiso 1 1 calc R U . . .
 H33B H 0.707850 0.282096 0.405394 0.067 Uiso 1 1 calc R U . . .
 H33C H 0.679542 0.383815 0.451498 0.067 Uiso 1 1 calc R U . . .
 C29 C 0.0284(3) 0.0332(3) 0.13350(14) 0.0589(8) Uani 1 1 d . . . . .
 H29A H 0.017908 -0.047900 0.131219 0.088 Uiso 1 1 calc R U . . .
 H29B H 0.120581 0.090208 0.143793 0.088 Uiso 1 1 calc R U . . .
 H29C H -0.009912 0.034583 0.088758 0.088 Uiso 1 1 calc R U . . .
 C34 C 0.5269(3) 0.1062(3) 0.31059(19) 0.0592(8) Uani 1 1 d . . . . .
 H34A H 0.456605 0.055279 0.331496 0.089 Uiso 1 1 calc R U . . .
 H34B H 0.610095 0.128835 0.338652 0.089 Uiso 1 1 calc R U . . .
 H34C H 0.522301 0.061891 0.263321 0.089 Uiso 1 1 calc R U . . .
 C27 C 0.1169(3) 0.3012(4) 0.48598(16) 0.0697(10) Uani 1 1 d . . . . .
 H27A H 0.089844 0.230683 0.504859 0.105 Uiso 1 1 calc R U . . .
 H27B H 0.041042 0.299398 0.460623 0.105 Uiso 1 1 calc R U . . .
 H27C H 0.159038 0.374451 0.524159 0.105 Uiso 1 1 calc R U . . .


_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 C1 2.080(2) . ?
 Sn1 C2 2.1691(18) . ?
 Sn1 C4 2.1685(19) . ?
 Sn1 C3 2.144(2) . ?
 P1 N2 1.6744(16) . ?
 P1 N1 1.6615(17) . ?
 P1 C1 1.568(2) . ?
 N2 C19 1.440(2) . ?
 N2 C6 1.471(3) . ?
 N1 C7 1.443(2) . ?
 N1 C5 1.464(2) . ?
 C19 C20 1.402(3) . ?
 C19 C24 1.400(3) . ?
 C35 C36 1.503(2) . ?
 C35 C45 1.398(3) . ?
 C35 C2 1.414(3) . ?
 C48 C2 1.408(3) . ?
 C48 C47 1.400(3) . ?
 C48 C49 1.501(3) . ?
 C41 C36 1.401(3) . ?
 C41 C40 1.398(3) . ?
 C41 C44 1.510(3) . ?
 C36 C37 1.410(3) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.384(3) . ?
 C4 H4A 0.9900 . ?
 C4 H4B 0.9900 . ?
 C4 C32 1.512(3) . ?
 C12 C7 1.406(3) . ?
 C12 C16 1.516(3) . ?
 C12 C11 1.397(3) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.390(3) . ?
 C47 H47 0.9500 . ?
 C20 C21 1.404(3) . ?
 C20 C25 1.513(3) . ?
 C7 C8 1.396(3) . ?
 C49 C50 1.405(3) . ?
 C49 C54 1.403(3) . ?
 C37 C42 1.506(3) . ?
 C37 C38 1.385(3) . ?
 C40 H40 0.9500 . ?
 C40 C39 1.397(3) . ?
 C44 H44A 0.9800 . ?
 C44 H44B 0.9800 . ?
 C44 H44C 0.9800 . ?
 C3 H3A 0.9900 . ?
 C3 H3B 0.9900 . ?
 C3 C31 1.521(3) . ?
 C6 H6A 0.9900 . ?
 C6 H6B 0.9900 . ?
 C6 C5 1.540(3) . ?
 C5 H5A 0.9900 . ?
 C5 H5B 0.9900 . ?
 C24 C23 1.399(3) . ?
 C24 C28 1.521(3) . ?
 C50 C51 1.397(3) . ?
 C50 C55 1.512(3) . ?
 C39 C38 1.391(3) . ?
 C39 C43 1.509(3) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.381(3) . ?
 C10 C9 1.385(3) . ?
 C54 C57 1.516(3) . ?
 C54 C53 1.399(3) . ?
 C16 H16 1.0000 . ?
 C16 C18 1.531(3) . ?
 C16 C17 1.535(3) . ?
 C11 H11 0.9500 . ?
 C57 H57A 0.9800 . ?
 C57 H57B 0.9800 . ?
 C57 H57C 0.9800 . ?
 C52 C51 1.386(3) . ?
 C52 C53 1.393(3) . ?
 C52 C56 1.512(3) . ?
 C51 H51 0.9500 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C8 C9 1.396(3) . ?
 C8 C13 1.523(3) . ?
 C9 H9 0.9500 . ?
 C53 H53 0.9500 . ?
 C55 H55A 0.9800 . ?
 C55 H55B 0.9800 . ?
 C55 H55C 0.9800 . ?
 C38 H38 0.9500 . ?
 C21 H21 0.9500 . ?
 C21 C22 1.376(4) . ?
 C31 C32 1.338(3) . ?
 C31 C33 1.508(3) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.370(4) . ?
 C23 H23 0.9500 . ?
 C25 H25 1.0000 . ?
 C25 C26 1.533(3) . ?
 C25 C27 1.532(4) . ?
 C28 H28 1.0000 . ?
 C28 C30 1.538(3) . ?
 C28 C29 1.535(3) . ?
 C56 H56A 0.9800 . ?
 C56 H56B 0.9800 . ?
 C56 H56C 0.9800 . ?
 C18 H18A 0.9800 . ?
 C18 H18B 0.9800 . ?
 C18 H18C 0.9800 . ?
 C43 H43A 0.9800 . ?
 C43 H43B 0.9800 . ?
 C43 H43C 0.9800 . ?
 C32 C34 1.520(3) . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C13 H13 1.0000 . ?
 C13 C14 1.523(3) . ?
 C13 C15 1.528(3) . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C33 H33A 0.9800 . ?
 C33 H33B 0.9800 . ?
 C33 H33C 0.9800 . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 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
 C1 Sn1 C2 105.23(7) . . ?
 C1 Sn1 C4 118.70(8) . . ?
 C1 Sn1 C3 113.35(9) . . ?
 C4 Sn1 C2 117.92(7) . . ?
 C3 Sn1 C2 116.43(7) . . ?
 C3 Sn1 C4 84.79(8) . . ?
 N1 P1 N2 93.10(8) . . ?
 C1 P1 N2 143.92(10) . . ?
 C1 P1 N1 122.95(10) . . ?
 C19 N2 P1 123.76(13) . . ?
 C19 N2 C6 119.81(15) . . ?
 C6 N2 P1 113.78(13) . . ?
 C7 N1 P1 122.06(13) . . ?
 C7 N1 C5 119.78(15) . . ?
 C5 N1 P1 114.91(13) . . ?
 C20 C19 N2 118.60(17) . . ?
 C24 C19 N2 119.91(17) . . ?
 C24 C19 C20 121.49(18) . . ?
 C45 C35 C36 116.70(16) . . ?
 C45 C35 C2 120.58(17) . . ?
 C2 C35 C36 122.71(16) . . ?
 C2 C48 C49 123.26(16) . . ?
 C47 C48 C2 120.24(17) . . ?
 C47 C48 C49 116.51(16) . . ?
 C36 C41 C44 121.78(17) . . ?
 C40 C41 C36 118.80(18) . . ?
 C40 C41 C44 119.34(18) . . ?
 P1 C1 Sn1 134.47(12) . . ?
 C41 C36 C35 119.63(16) . . ?
 C41 C36 C37 120.17(17) . . ?
 C37 C36 C35 119.95(16) . . ?
 C35 C45 H45 119.5 . . ?
 C46 C45 C35 120.93(17) . . ?
 C46 C45 H45 119.5 . . ?
 C35 C2 Sn1 119.87(13) . . ?
 C48 C2 Sn1 121.81(13) . . ?
 C48 C2 C35 117.96(16) . . ?
 Sn1 C4 H4A 111.1 . . ?
 Sn1 C4 H4B 111.1 . . ?
 H4A C4 H4B 109.1 . . ?
 C32 C4 Sn1 103.30(13) . . ?
 C32 C4 H4A 111.1 . . ?
 C32 C4 H4B 111.1 . . ?
 C7 C12 C16 121.28(17) . . ?
 C11 C12 C7 118.06(18) . . ?
 C11 C12 C16 120.64(17) . . ?
 C45 C46 H46 120.5 . . ?
 C45 C46 C47 119.04(17) . . ?
 C47 C46 H46 120.5 . . ?
 C48 C47 H47 119.4 . . ?
 C46 C47 C48 121.16(17) . . ?
 C46 C47 H47 119.4 . . ?
 C19 C20 C21 117.82(19) . . ?
 C19 C20 C25 121.83(18) . . ?
 C21 C20 C25 120.33(19) . . ?
 C12 C7 N1 118.26(18) . . ?
 C8 C7 N1 120.24(17) . . ?
 C8 C7 C12 121.50(18) . . ?
 C50 C49 C48 120.64(16) . . ?
 C54 C49 C48 119.40(16) . . ?
 C54 C49 C50 119.84(17) . . ?
 C36 C37 C42 121.52(17) . . ?
 C38 C37 C36 119.22(18) . . ?
 C38 C37 C42 119.26(18) . . ?
 C41 C40 H40 119.2 . . ?
 C39 C40 C41 121.69(18) . . ?
 C39 C40 H40 119.2 . . ?
 C41 C44 H44A 109.5 . . ?
 C41 C44 H44B 109.5 . . ?
 C41 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 Sn1 C3 H3A 111.0 . . ?
 Sn1 C3 H3B 111.0 . . ?
 H3A C3 H3B 109.0 . . ?
 C31 C3 Sn1 103.99(13) . . ?
 C31 C3 H3A 111.0 . . ?
 C31 C3 H3B 111.0 . . ?
 N2 C6 H6A 110.6 . . ?
 N2 C6 H6B 110.6 . . ?
 N2 C6 C5 105.84(16) . . ?
 H6A C6 H6B 108.7 . . ?
 C5 C6 H6A 110.6 . . ?
 C5 C6 H6B 110.6 . . ?
 N1 C5 C6 105.53(16) . . ?
 N1 C5 H5A 110.6 . . ?
 N1 C5 H5B 110.6 . . ?
 C6 C5 H5A 110.6 . . ?
 C6 C5 H5B 110.6 . . ?
 H5A C5 H5B 108.8 . . ?
 C19 C24 C28 122.34(19) . . ?
 C23 C24 C19 118.0(2) . . ?
 C23 C24 C28 119.6(2) . . ?
 C49 C50 C55 121.30(17) . . ?
 C51 C50 C49 119.58(18) . . ?
 C51 C50 C55 119.10(17) . . ?
 C40 C39 C43 120.6(2) . . ?
 C38 C39 C40 118.25(18) . . ?
 C38 C39 C43 121.08(19) . . ?
 C11 C10 H10 120.2 . . ?
 C11 C10 C9 119.53(19) . . ?
 C9 C10 H10 120.2 . . ?
 C49 C54 C57 120.70(17) . . ?
 C53 C54 C49 118.83(17) . . ?
 C53 C54 C57 120.47(17) . . ?
 C12 C16 H16 107.8 . . ?
 C12 C16 C18 112.27(17) . . ?
 C12 C16 C17 110.06(17) . . ?
 C18 C16 H16 107.8 . . ?
 C18 C16 C17 110.99(18) . . ?
 C17 C16 H16 107.8 . . ?
 C12 C11 H11 119.3 . . ?
 C10 C11 C12 121.33(18) . . ?
 C10 C11 H11 119.3 . . ?
 C54 C57 H57A 109.5 . . ?
 C54 C57 H57B 109.5 . . ?
 C54 C57 H57C 109.5 . . ?
 H57A C57 H57B 109.5 . . ?
 H57A C57 H57C 109.5 . . ?
 H57B C57 H57C 109.5 . . ?
 C51 C52 C53 118.40(18) . . ?
 C51 C52 C56 120.36(19) . . ?
 C53 C52 C56 121.22(19) . . ?
 C50 C51 H51 119.3 . . ?
 C52 C51 C50 121.38(18) . . ?
 C52 C51 H51 119.3 . . ?
 C37 C42 H42A 109.5 . . ?
 C37 C42 H42B 109.5 . . ?
 C37 C42 H42C 109.5 . . ?
 H42A C42 H42B 109.5 . . ?
 H42A C42 H42C 109.5 . . ?
 H42B C42 H42C 109.5 . . ?
 C7 C8 C13 122.47(19) . . ?
 C9 C8 C7 118.19(18) . . ?
 C9 C8 C13 119.32(19) . . ?
 C10 C9 C8 121.38(19) . . ?
 C10 C9 H9 119.3 . . ?
 C8 C9 H9 119.3 . . ?
 C54 C53 H53 119.0 . . ?
 C52 C53 C54 121.93(18) . . ?
 C52 C53 H53 119.0 . . ?
 C50 C55 H55A 109.5 . . ?
 C50 C55 H55B 109.5 . . ?
 C50 C55 H55C 109.5 . . ?
 H55A C55 H55B 109.5 . . ?
 H55A C55 H55C 109.5 . . ?
 H55B C55 H55C 109.5 . . ?
 C37 C38 C39 121.84(18) . . ?
 C37 C38 H38 119.1 . . ?
 C39 C38 H38 119.1 . . ?
 C20 C21 H21 119.5 . . ?
 C22 C21 C20 121.1(2) . . ?
 C22 C21 H21 119.5 . . ?
 C32 C31 C3 120.97(18) . . ?
 C32 C31 C33 124.5(2) . . ?
 C33 C31 C3 114.5(2) . . ?
 C21 C22 H22 119.9 . . ?
 C23 C22 C21 120.3(2) . . ?
 C23 C22 H22 119.9 . . ?
 C24 C23 H23 119.4 . . ?
 C22 C23 C24 121.2(2) . . ?
 C22 C23 H23 119.4 . . ?
 C20 C25 H25 107.9 . . ?
 C20 C25 C26 112.9(2) . . ?
 C20 C25 C27 109.7(2) . . ?
 C26 C25 H25 107.9 . . ?
 C27 C25 H25 107.9 . . ?
 C27 C25 C26 110.3(2) . . ?
 C24 C28 H28 108.1 . . ?
 C24 C28 C30 111.79(19) . . ?
 C24 C28 C29 110.0(2) . . ?
 C30 C28 H28 108.1 . . ?
 C29 C28 H28 108.1 . . ?
 C29 C28 C30 110.7(2) . . ?
 C52 C56 H56A 109.5 . . ?
 C52 C56 H56B 109.5 . . ?
 C52 C56 H56C 109.5 . . ?
 H56A C56 H56B 109.5 . . ?
 H56A C56 H56C 109.5 . . ?
 H56B C56 H56C 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 . . ?
 C39 C43 H43A 109.5 . . ?
 C39 C43 H43B 109.5 . . ?
 C39 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C4 C32 C34 114.3(2) . . ?
 C31 C32 C4 121.36(19) . . ?
 C31 C32 C34 124.3(2) . . ?
 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 . . ?
 C8 C13 H13 107.6 . . ?
 C8 C13 C15 109.82(18) . . ?
 C14 C13 C8 111.68(18) . . ?
 C14 C13 H13 107.6 . . ?
 C14 C13 C15 112.4(2) . . ?
 C15 C13 H13 107.6 . . ?
 C28 C30 H30A 109.5 . . ?
 C28 C30 H30B 109.5 . . ?
 C28 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C13 C14 H14A 109.5 . . ?
 C13 C14 H14B 109.5 . . ?
 C13 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C13 C15 H15A 109.5 . . ?
 C13 C15 H15B 109.5 . . ?
 C13 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C31 C33 H33A 109.5 . . ?
 C31 C33 H33B 109.5 . . ?
 C31 C33 H33C 109.5 . . ?
 H33A C33 H33B 109.5 . . ?
 H33A C33 H33C 109.5 . . ?
 H33B C33 H33C 109.5 . . ?
 C28 C29 H29A 109.5 . . ?
 C28 C29 H29B 109.5 . . ?
 C28 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C32 C34 H34A 109.5 . . ?
 C32 C34 H34B 109.5 . . ?
 C32 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 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 . . ?

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 C4 C32 C31 17.2(2) . . . . ?
 Sn1 C4 C32 C34 -163.87(19) . . . . ?
 Sn1 C3 C31 C32 -16.2(2) . . . . ?
 Sn1 C3 C31 C33 165.59(15) . . . . ?
 P1 N2 C19 C20 92.0(2) . . . . ?
 P1 N2 C19 C24 -88.5(2) . . . . ?
 P1 N2 C6 C5 -23.2(2) . . . . ?
 P1 N1 C7 C12 100.85(19) . . . . ?
 P1 N1 C7 C8 -79.8(2) . . . . ?
 P1 N1 C5 C6 -21.6(2) . . . . ?
 N2 P1 N1 C7 167.28(16) . . . . ?
 N2 P1 N1 C5 7.72(16) . . . . ?
 N2 P1 C1 Sn1 -7.4(3) . . . . ?
 N2 C19 C20 C21 176.50(17) . . . . ?
 N2 C19 C20 C25 -2.0(3) . . . . ?
 N2 C19 C24 C23 -175.68(18) . . . . ?
 N2 C19 C24 C28 5.5(3) . . . . ?
 N2 C6 C5 N1 26.5(2) . . . . ?
 N1 P1 N2 C19 171.47(16) . . . . ?
 N1 P1 N2 C6 10.01(16) . . . . ?
 N1 P1 C1 Sn1 175.11(14) . . . . ?
 N1 C7 C8 C9 -179.78(17) . . . . ?
 N1 C7 C8 C13 -1.0(3) . . . . ?
 C19 N2 C6 C5 174.53(17) . . . . ?
 C19 C20 C21 C22 0.3(3) . . . . ?
 C19 C20 C25 C26 -145.4(2) . . . . ?
 C19 C20 C25 C27 91.1(3) . . . . ?
 C19 C24 C23 C22 -2.0(3) . . . . ?
 C19 C24 C28 C30 -116.3(2) . . . . ?
 C19 C24 C28 C29 120.3(2) . . . . ?
 C35 C36 C37 C42 5.3(3) . . . . ?
 C35 C36 C37 C38 -174.31(17) . . . . ?
 C35 C45 C46 C47 -2.2(3) . . . . ?
 C48 C49 C50 C51 -174.28(17) . . . . ?
 C48 C49 C50 C55 7.6(3) . . . . ?
 C48 C49 C54 C57 -5.2(3) . . . . ?
 C48 C49 C54 C53 174.88(16) . . . . ?
 C41 C36 C37 C42 179.47(17) . . . . ?
 C41 C36 C37 C38 -0.1(3) . . . . ?
 C41 C40 C39 C38 1.5(3) . . . . ?
 C41 C40 C39 C43 -176.7(2) . . . . ?
 C1 P1 N2 C19 -6.4(3) . . . . ?
 C1 P1 N2 C6 -167.86(19) . . . . ?
 C1 P1 N1 C7 -14.2(2) . . . . ?
 C1 P1 N1 C5 -173.78(15) . . . . ?
 C36 C35 C45 C46 -179.90(17) . . . . ?
 C36 C35 C2 Sn1 9.3(2) . . . . ?
 C36 C35 C2 C48 -177.42(16) . . . . ?
 C36 C41 C40 C39 -2.1(3) . . . . ?
 C36 C37 C38 C39 -0.5(3) . . . . ?
 C45 C35 C36 C41 -97.0(2) . . . . ?
 C45 C35 C36 C37 77.2(2) . . . . ?
 C45 C35 C2 Sn1 -171.25(13) . . . . ?
 C45 C35 C2 C48 2.0(3) . . . . ?
 C45 C46 C47 C48 1.1(3) . . . . ?
 C2 C35 C36 C41 82.4(2) . . . . ?
 C2 C35 C36 C37 -103.4(2) . . . . ?
 C2 C35 C45 C46 0.7(3) . . . . ?
 C2 C48 C47 C46 1.6(3) . . . . ?
 C2 C48 C49 C50 -83.9(2) . . . . ?
 C2 C48 C49 C54 100.1(2) . . . . ?
 C12 C7 C8 C9 -0.4(3) . . . . ?
 C12 C7 C8 C13 178.39(17) . . . . ?
 C47 C48 C2 Sn1 170.01(13) . . . . ?
 C47 C48 C2 C35 -3.1(3) . . . . ?
 C47 C48 C49 C50 96.0(2) . . . . ?
 C47 C48 C49 C54 -80.0(2) . . . . ?
 C20 C19 C24 C23 3.9(3) . . . . ?
 C20 C19 C24 C28 -174.97(18) . . . . ?
 C20 C21 C22 C23 1.6(3) . . . . ?
 C7 N1 C5 C6 178.36(18) . . . . ?
 C7 C12 C16 C18 142.68(19) . . . . ?
 C7 C12 C16 C17 -93.2(2) . . . . ?
 C7 C12 C11 C10 1.4(3) . . . . ?
 C7 C8 C9 C10 0.7(3) . . . . ?
 C7 C8 C13 C14 119.8(2) . . . . ?
 C7 C8 C13 C15 -114.8(2) . . . . ?
 C49 C48 C2 Sn1 -10.2(2) . . . . ?
 C49 C48 C2 C35 176.73(16) . . . . ?
 C49 C48 C47 C46 -178.22(17) . . . . ?
 C49 C50 C51 C52 -0.6(3) . . . . ?
 C49 C54 C53 C52 -0.5(3) . . . . ?
 C40 C41 C36 C35 175.61(17) . . . . ?
 C40 C41 C36 C37 1.4(3) . . . . ?
 C40 C39 C38 C37 -0.2(3) . . . . ?
 C44 C41 C36 C35 -1.0(3) . . . . ?
 C44 C41 C36 C37 -175.24(18) . . . . ?
 C44 C41 C40 C39 174.59(19) . . . . ?
 C3 C31 C32 C4 -0.9(3) . . . . ?
 C3 C31 C32 C34 -179.7(2) . . . . ?
 C6 N2 C19 C20 -107.6(2) . . . . ?
 C6 N2 C19 C24 71.9(2) . . . . ?
 C5 N1 C7 C12 -100.5(2) . . . . ?
 C5 N1 C7 C8 78.9(2) . . . . ?
 C24 C19 C20 C21 -3.0(3) . . . . ?
 C24 C19 C20 C25 178.49(18) . . . . ?
 C50 C49 C54 C57 178.77(17) . . . . ?
 C50 C49 C54 C53 -1.2(3) . . . . ?
 C54 C49 C50 C51 1.7(3) . . . . ?
 C54 C49 C50 C55 -176.45(17) . . . . ?
 C16 C12 C7 N1 -3.1(3) . . . . ?
 C16 C12 C7 C8 177.49(17) . . . . ?
 C16 C12 C11 C10 -176.74(18) . . . . ?
 C11 C12 C7 N1 178.76(16) . . . . ?
 C11 C12 C7 C8 -0.6(3) . . . . ?
 C11 C12 C16 C18 -39.3(3) . . . . ?
 C11 C12 C16 C17 84.9(2) . . . . ?
 C11 C10 C9 C8 0.0(3) . . . . ?
 C57 C54 C53 C52 179.56(18) . . . . ?
 C51 C52 C53 C54 1.6(3) . . . . ?
 C42 C37 C38 C39 179.89(18) . . . . ?
 C9 C10 C11 C12 -1.1(3) . . . . ?
 C9 C8 C13 C14 -61.5(3) . . . . ?
 C9 C8 C13 C15 64.0(3) . . . . ?
 C53 C52 C51 C50 -1.0(3) . . . . ?
 C55 C50 C51 C52 177.59(18) . . . . ?
 C21 C20 C25 C26 36.1(3) . . . . ?
 C21 C20 C25 C27 -87.4(3) . . . . ?
 C21 C22 C23 C24 -0.7(3) . . . . ?
 C23 C24 C28 C30 64.9(3) . . . . ?
 C23 C24 C28 C29 -58.5(3) . . . . ?
 C25 C20 C21 C22 178.8(2) . . . . ?
 C28 C24 C23 C22 176.9(2) . . . . ?
 C56 C52 C51 C50 177.46(18) . . . . ?
 C56 C52 C53 C54 -176.87(17) . . . . ?
 C43 C39 C38 C37 178.07(19) . . . . ?
 C13 C8 C9 C10 -178.11(19) . . . . ?
 C33 C31 C32 C4 177.1(2) . . . . ?
 C33 C31 C32 C34 -1.7(4) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
