#------------------------------------------------------------------------------
#$Date: 2024-10-30 20:34:16 +0200 (Wed, 30 Oct 2024) $
#$Revision: 295677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/60/7716055.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7716055
loop_
_publ_author_name
'Kumar, Manish'
'Nayek, Hari Pada'
_publ_section_title
;
 Syntheses and exploration of the catalytic activities of organotin(IV)
 compounds.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9827
_journal_page_last               9837
_journal_paper_doi               10.1039/d4dt00646a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C26 H36 N2 O5 Sn'
_chemical_formula_sum            'C26 H36 N2 O5 Sn'
_chemical_formula_weight         575.25
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-05-04
_audit_creation_method
;
Olex2 1.2-ac3
(compiled 2016.08.26 svn.r3337 for Rigaku Oxford Diffraction, GUI svn.r5221)
;
_audit_update_record
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                112.274(5)
_cell_angle_beta                 93.904(5)
_cell_angle_gamma                96.094(4)
_cell_formula_units_Z            4
_cell_length_a                   10.3278(6)
_cell_length_b                   15.8695(8)
_cell_length_c                   17.9400(12)
_cell_measurement_reflns_used    8022
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9640
_cell_measurement_theta_min      2.5590
_cell_volume                     2686.7(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.0303
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  51.00   1.00   52.10    --   13.76 -99.00 120.00   49
  2  ω    -82.00  -1.00   1.00   52.10    --  -15.95 -57.00 -30.00   81
  3  ω    -25.00  52.00   1.00   52.10    --  -15.95  19.00 -90.00   77
  4  ω    -42.00   9.00   1.00   52.10    --  -15.95 -77.00-120.00   51
  5  ω    -30.00   2.00   1.00   52.10    --  -15.95 -77.00 150.00   32
  6  ω    -85.00 -43.00   1.00   52.10    --  -15.95-178.00  60.00   42
  7  ω    -30.00  53.00   1.00   52.10    --  -15.95  38.00 150.00   83
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25148
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.997
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.348
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         11557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0958P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8189
_reflns_number_total             11557
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00646a2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
Adding full bibliography for 7716050--7716055.cif.

2024-10-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C52 H72 N4 O10 Sn2'
_cod_original_formula_weight         1150.51
_cod_original_formula_moiety         '2(C26 H36 N2 O5 Sn)'
_cod_original_formula_units_Z            2
_cod_database_code               7716055
_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.
;
_shelx_estimated_absorpt_t_max   0.908
_shelx_estimated_absorpt_t_min   0.882
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C23(H23A,
 H23B), C24(H24A,H24B), C25(H25A,H25B), C40(H40A,H40B), C45(H45A,H45B),
 C46(H46A,H46B), C47(H47A,H47B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B)
2.b Me refined with riding coordinates:
 C26(H26A,H26B,H26C), C52(H52A,H52B,H52C)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C28(H28), C29(H29),
 C31(H31), C33(H33), C35(H35), C37(H37)
2.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,
 H44C), C48(H48A,H48B,H48C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C16(H16A,
 H16B,H16C)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3A), O8(H8)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.3303(5) 0.2801(3) 0.6632(3) 0.0434(11) Uani 1 1 d . . . . .
C2 C 0.3283(5) 0.2486(4) 0.7268(3) 0.0524(13) Uani 1 1 d . . . . .
H2 H 0.3724 0.2858 0.7776 0.063 Uiso 1 1 calc R . . . .
C3 C 0.2620(5) 0.1639(4) 0.7150(3) 0.0545(14) Uani 1 1 d . . . . .
H3 H 0.2650 0.1424 0.7566 0.065 Uiso 1 1 calc R . . . .
C4 C 0.1910(5) 0.1109(4) 0.6407(3) 0.0507(13) Uani 1 1 d . . . . .
C5 C 0.1863(5) 0.1402(3) 0.5768(3) 0.0468(12) Uani 1 1 d . . . . .
H5 H 0.1374 0.1037 0.5273 0.056 Uiso 1 1 calc R . . . .
C6 C 0.2550(4) 0.2241(3) 0.5877(3) 0.0396(10) Uani 1 1 d . . . . .
C7 C 0.2071(5) 0.2143(3) 0.4523(3) 0.0453(12) Uani 1 1 d . . . . .
H7 H 0.1608 0.1571 0.4431 0.054 Uiso 1 1 calc R . . . .
C8 C 0.2089(5) 0.2383(3) 0.3836(3) 0.0425(11) Uani 1 1 d . . . . .
C9 C 0.1530(5) 0.1675(4) 0.3089(3) 0.0492(12) Uani 1 1 d . . . . .
H9 H 0.1162 0.1112 0.3085 0.059 Uiso 1 1 calc R . . . .
C10 C 0.1516(5) 0.1798(4) 0.2373(3) 0.0475(12) Uani 1 1 d . . . . .
C11 C 0.2030(5) 0.2670(3) 0.2415(3) 0.0454(12) Uani 1 1 d . . . . .
H11 H 0.2013 0.2767 0.1934 0.054 Uiso 1 1 calc R . . . .
C12 C 0.2556(5) 0.3388(3) 0.3120(3) 0.0427(11) Uani 1 1 d . . . . .
C13 C 0.2632(5) 0.3254(3) 0.3867(3) 0.0398(10) Uani 1 1 d . . . . .
C14 C 0.2998(5) 0.4313(3) 0.3120(3) 0.0464(12) Uani 1 1 d . . . . .
H14A H 0.2618 0.4334 0.2619 0.056 Uiso 1 1 calc R . . . .
H14B H 0.2655 0.4771 0.3563 0.056 Uiso 1 1 calc R . . . .
C19 C 0.2738(5) 0.5054(4) 0.6233(3) 0.0576(15) Uani 1 1 d . . . . .
H19A H 0.2873 0.5243 0.6817 0.069 Uiso 1 1 calc R . . . .
H19B H 0.3065 0.5579 0.6112 0.069 Uiso 1 1 calc R . . . .
C20 C 0.1338(8) 0.4819(6) 0.5969(5) 0.103(3) Uiso 1 1 d . . . . .
H20A H 0.0996 0.4348 0.6154 0.124 Uiso 1 1 calc R . . . .
H20B H 0.1214 0.4551 0.5381 0.124 Uiso 1 1 calc R . . . .
C21 C 0.0518(10) 0.5609(7) 0.6259(6) 0.129(3) Uiso 1 1 d . . . . .
H21A H 0.0352 0.5794 0.5808 0.154 Uiso 1 1 calc R . . . .
H21B H -0.0324 0.5351 0.6347 0.154 Uiso 1 1 calc R . . . .
C22 C 0.0945(12) 0.6418(9) 0.6947(7) 0.166(5) Uiso 1 1 d . . . . .
H22A H 0.1306 0.6893 0.6781 0.249 Uiso 1 1 calc GR . . . .
H22B H 0.1605 0.6304 0.7287 0.249 Uiso 1 1 calc GR . . . .
H22C H 0.0216 0.6609 0.7243 0.249 Uiso 1 1 calc GR . . . .
C23 C 0.5698(6) 0.3633(5) 0.5326(5) 0.084(2) Uani 1 1 d . . . . .
H23A H 0.6001 0.4027 0.5052 0.101 Uiso 1 1 calc R . . . .
H23B H 0.6303 0.3804 0.5814 0.101 Uiso 1 1 calc R . . . .
C24 C 0.5840(10) 0.2750(9) 0.4834(8) 0.169(6) Uani 1 1 d . . . . .
H24A H 0.5173 0.2577 0.4375 0.203 Uiso 1 1 calc R . . . .
H24B H 0.5571 0.2377 0.5133 0.203 Uiso 1 1 calc R . . . .
C25 C 0.7138(14) 0.2370(11) 0.4450(9) 0.190(6) Uiso 1 1 d . . . . .
H25A H 0.7038 0.1704 0.4242 0.229 Uiso 1 1 calc R . . A .
H25B H 0.7333 0.2571 0.4017 0.229 Uiso 1 1 calc R . . A .
C26 C 0.8015(17) 0.2728(12) 0.5049(10) 0.237(8) Uiso 1 1 d . . . B 2
H26A H 0.8840 0.2543 0.4884 0.356 Uiso 1 1 calc R . . B 2
H26B H 0.8083 0.3386 0.5247 0.356 Uiso 1 1 calc R . . B 2
H26C H 0.7790 0.2526 0.5471 0.356 Uiso 1 1 calc R . . B 2
C27 C 0.5474(5) 0.2683(4) 1.1618(3) 0.0489(12) Uani 1 1 d . . . . .
C28 C 0.5376(6) 0.2345(4) 1.2237(4) 0.0588(15) Uani 1 1 d . . . . .
H28 H 0.5120 0.2718 1.2728 0.071 Uiso 1 1 calc R . . . .
C29 C 0.5641(6) 0.1500(5) 1.2142(4) 0.0611(15) Uani 1 1 d . . . . .
H29 H 0.5558 0.1292 1.2559 0.073 Uiso 1 1 calc R . . . .
C30 C 0.6039(6) 0.0943(4) 1.1415(4) 0.0565(14) Uani 1 1 d . . . . .
C31 C 0.6179(5) 0.1240(4) 1.0779(3) 0.0526(13) Uani 1 1 d . . . . .
H31 H 0.6461 0.0862 1.0299 0.063 Uiso 1 1 calc R . . . .
C32 C 0.5892(5) 0.2098(3) 1.0876(3) 0.0444(11) Uani 1 1 d . . . . .
C33 C 0.6142(5) 0.1983(4) 0.9543(3) 0.0539(13) Uani 1 1 d . . . . .
H33 H 0.6188 0.1367 0.9435 0.065 Uiso 1 1 calc R . . . .
C34 C 0.6254(5) 0.2246(4) 0.8877(3) 0.0502(13) Uani 1 1 d . . . . .
C35 C 0.6370(6) 0.1523(4) 0.8119(3) 0.0570(14) Uani 1 1 d . . . . .
H35 H 0.6313 0.0924 0.8095 0.068 Uiso 1 1 calc R . . . .
C36 C 0.6558(6) 0.1671(4) 0.7437(3) 0.0548(14) Uani 1 1 d . . . . .
C37 C 0.6673(5) 0.2598(4) 0.7514(3) 0.0504(13) Uani 1 1 d . . . . .
H37 H 0.6829 0.2720 0.7057 0.061 Uiso 1 1 calc R . . . .
C38 C 0.6570(5) 0.3330(4) 0.8218(3) 0.0463(12) Uani 1 1 d . . . . .
C39 C 0.6356(5) 0.3162(4) 0.8929(3) 0.0479(12) Uani 1 1 d . . . . .
C40 C 0.6681(5) 0.4279(4) 0.8237(3) 0.0533(13) Uani 1 1 d . . . . .
H40A H 0.7267 0.4688 0.8712 0.064 Uiso 1 1 calc R . . . .
H40B H 0.7065 0.4289 0.7761 0.064 Uiso 1 1 calc R . . . .
C41 C 0.6681(7) 0.0886(4) 0.6599(4) 0.0707(18) Uani 1 1 d . . . . .
C42 C 0.6181(11) -0.0048(5) 0.6607(4) 0.124(4) Uani 1 1 d . . . . .
H42A H 0.6796 -0.0200 0.6946 0.185 Uiso 1 1 calc GR . . . .
H42B H 0.6083 -0.0508 0.6065 0.185 Uiso 1 1 calc GR . . . .
H42C H 0.5348 -0.0026 0.6816 0.185 Uiso 1 1 calc GR . . . .
C43 C 0.8108(9) 0.0954(8) 0.6475(6) 0.151(5) Uani 1 1 d . . . . .
H43A H 0.8424 0.1567 0.6528 0.226 Uiso 1 1 calc GR . . . .
H43B H 0.8211 0.0526 0.5943 0.226 Uiso 1 1 calc GR . . . .
H43C H 0.8599 0.0811 0.6875 0.226 Uiso 1 1 calc GR . . . .
C44 C 0.5874(10) 0.0998(6) 0.5937(4) 0.111(3) Uani 1 1 d . . . . .
H44A H 0.4998 0.0690 0.5878 0.166 Uiso 1 1 calc GR . . . .
H44B H 0.6249 0.0735 0.5439 0.166 Uiso 1 1 calc GR . . . .
H44C H 0.5851 0.1640 0.6064 0.166 Uiso 1 1 calc GR . . . .
C45 C 0.7229(6) 0.4863(5) 1.1332(4) 0.0727(18) Uani 1 1 d . . . . .
H45A H 0.7197 0.5414 1.1221 0.087 Uiso 1 1 calc R . . . .
H45B H 0.7193 0.5037 1.1909 0.087 Uiso 1 1 calc R . . . .
C46 C 0.8431(8) 0.4566(8) 1.1151(6) 0.161(5) Uani 1 1 d . . . . .
H46A H 0.8388 0.4272 1.0566 0.193 Uiso 1 1 calc R . . . .
H46B H 0.8529 0.4094 1.1363 0.193 Uiso 1 1 calc R . . . .
C47 C 0.9678(13) 0.5266(9) 1.1455(8) 0.171(5) Uiso 1 1 d . . . . .
H47A H 1.0384 0.4938 1.1529 0.206 Uiso 1 1 calc R . . . .
H47B H 0.9867 0.5461 1.1018 0.206 Uiso 1 1 calc R . . . .
C48 C 0.9770(15) 0.6072(11) 1.2167(9) 0.213(6) Uiso 1 1 d . . . . .
H48A H 0.9003 0.6364 1.2159 0.319 Uiso 1 1 calc GR . . . .
H48B H 1.0536 0.6487 1.2193 0.319 Uiso 1 1 calc GR . . . .
H48C H 0.9833 0.5915 1.2633 0.319 Uiso 1 1 calc GR . . . .
C49 C 0.3611(6) 0.3684(4) 1.0129(4) 0.0707(17) Uani 1 1 d . . . . .
H49A H 0.3312 0.4275 1.0245 0.085 Uiso 1 1 calc R . . . .
H49B H 0.3643 0.3403 0.9549 0.085 Uiso 1 1 calc R . . . .
N1 N 0.2617(4) 0.2619(3) 0.5270(2) 0.0397(9) Uani 1 1 d . . . . .
N2 N 0.1208(5) 0.0209(4) 0.6281(4) 0.0667(14) Uani 1 1 d . . . . .
N3 N 0.5984(4) 0.2489(3) 1.0286(2) 0.0460(10) Uani 1 1 d . . . . .
N4 N 0.6347(5) 0.0035(4) 1.1312(4) 0.0665(13) Uani 1 1 d . . . . .
O1 O 0.3980(3) 0.3592(2) 0.6727(2) 0.0509(9) Uani 1 1 d . . . . .
O2 O 0.3133(4) 0.3940(2) 0.4533(2) 0.0575(10) Uani 1 1 d . . . . .
O3 O 0.4384(4) 0.4559(3) 0.3197(2) 0.0554(9) Uani 1 1 d . . . . .
H3A H 0.4658 0.4277 0.2766 0.083 Uiso 1 1 calc GR . . . .
O4 O 0.0716(5) -0.0296(3) 0.5605(3) 0.0904(15) Uani 1 1 d . . . . .
O5 O 0.1102(6) 0.0019(4) 0.6862(3) 0.125(2) Uani 1 1 d . . . . .
O6 O 0.5189(4) 0.3490(3) 1.1696(2) 0.0556(9) Uani 1 1 d . . . . .
O7 O 0.6309(4) 0.3865(2) 0.9607(2) 0.0659(11) Uani 1 1 d . . . . .
O8 O 0.5442(4) 0.4614(2) 0.8257(2) 0.0551(9) Uani 1 1 d . . . . .
H8 H 0.4932 0.4259 0.7867 0.083 Uiso 1 1 calc GR . . . .
O9 O 0.6594(5) -0.0468(3) 1.0649(3) 0.0930(15) Uani 1 1 d . . . . .
O10 O 0.6307(5) -0.0208(4) 1.1875(3) 0.0970(16) Uani 1 1 d . . . . .
Sn1 Sn 0.38647(3) 0.39854(2) 0.56993(2) 0.04029(12) Uani 1 1 d . . . . .
Sn2 Sn 0.55270(3) 0.39230(2) 1.07078(2) 0.04544(13) Uani 1 1 d . . . . .
C50 C 0.2706(12) 0.3152(9) 1.0325(8) 0.157(4) Uiso 1 1 d . . . . .
H50A H 0.2690 0.3426 1.0908 0.189 Uiso 1 1 calc R . . . .
H50B H 0.3000 0.2557 1.0200 0.189 Uiso 1 1 calc R . . . .
C51 C 0.1006(14) 0.2951(12) 0.9837(11) 0.199(7) Uani 1 1 d . . . . .
H51A H 0.0384 0.2646 1.0068 0.238 Uiso 1 1 calc R . . . .
H51B H 0.0707 0.3502 0.9819 0.238 Uiso 1 1 calc R . . . .
C52 C 0.1290(19) 0.2453(14) 0.9207(11) 0.249(10) Uiso 1 1 d . . . . .
H52A H 0.0526 0.2233 0.8813 0.373 Uiso 1 1 calc R . . . .
H52B H 0.1946 0.2782 0.9025 0.373 Uiso 1 1 calc R . . . .
H52C H 0.1629 0.1941 0.9271 0.373 Uiso 1 1 calc R . . . .
C15 C 0.0970(6) 0.1023(4) 0.1546(4) 0.0611(15) Uiso 1 1 d . . . . .
C17 C 0.1915(11) 0.0877(8) 0.0978(5) 0.187(7) Uani 1 1 d . . . . .
H17A H 0.2036 0.1392 0.0820 0.280 Uiso 1 1 calc GR . . . .
H17B H 0.1608 0.0326 0.0508 0.280 Uiso 1 1 calc GR . . . .
H17C H 0.2735 0.0815 0.1225 0.280 Uiso 1 1 calc GR . . . .
C18 C 0.0459(19) 0.0157(7) 0.1607(5) 0.243(10) Uani 1 1 d . . . . .
H18A H 0.1128 -0.0033 0.1882 0.365 Uiso 1 1 calc GR . . . .
H18B H 0.0200 -0.0308 0.1073 0.365 Uiso 1 1 calc GR . . . .
H18C H -0.0286 0.0244 0.1906 0.365 Uiso 1 1 calc GR . . . .
C16 C -0.0168(12) 0.1343(9) 0.1214(7) 0.220(8) Uani 1 1 d . . . . .
H16A H -0.0506 0.1799 0.1651 0.331 Uiso 1 1 calc GR . . . .
H16B H -0.0844 0.0830 0.0939 0.331 Uiso 1 1 calc GR . . . .
H16C H 0.0117 0.1604 0.0840 0.331 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 C1 C6 118.0(5) . . ?
O1 C1 C2 121.6(5) . . ?
O1 C1 C6 120.3(4) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.0(5) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.3(5) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 121.8(5) . . ?
C3 C4 N2 119.3(5) . . ?
C5 C4 N2 118.9(5) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.1(5) . . ?
C6 C5 H5 120.4 . . ?
C1 C6 N1 114.2(4) . . ?
C5 C6 C1 120.6(4) . . ?
C5 C6 N1 125.2(4) . . ?
C8 C7 H7 115.5 . . ?
N1 C7 H7 115.5 . . ?
N1 C7 C8 128.9(5) . . ?
C9 C8 C7 115.4(5) . . ?
C13 C8 C7 124.1(4) . . ?
C13 C8 C9 120.5(4) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.8(5) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C11 117.0(4) . . ?
C9 C10 C15 122.7(5) . . ?
C11 C10 C15 120.3(5) . . ?
C10 C11 H11 118.0 . . ?
C12 C11 C10 124.0(5) . . ?
C12 C11 H11 118.0 . . ?
C11 C12 C13 119.5(5) . . ?
C11 C12 C14 120.6(5) . . ?
C13 C12 C14 119.9(4) . . ?
C8 C13 C12 117.2(4) . . ?
O2 C13 C8 123.8(4) . . ?
O2 C13 C12 119.0(4) . . ?
C12 C14 H14A 108.5 . . ?
C12 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
O3 C14 C12 115.2(4) . . ?
O3 C14 H14A 108.5 . . ?
O3 C14 H14B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C20 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
C20 C19 Sn1 115.1(5) . . ?
Sn1 C19 H19A 108.5 . . ?
Sn1 C19 H19B 108.5 . . ?
C19 C20 H20A 108.2 . . ?
C19 C20 H20B 108.2 . . ?
C19 C20 C21 116.4(7) . . ?
H20A C20 H20B 107.3 . . ?
C21 C20 H20A 108.2 . . ?
C21 C20 H20B 108.2 . . ?
C20 C21 H21A 106.8 . . ?
C20 C21 H21B 106.8 . . ?
H21A C21 H21B 106.6 . . ?
C22 C21 C20 122.3(10) . . ?
C22 C21 H21A 106.8 . . ?
C22 C21 H21B 106.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H23A C23 H23B 106.7 . . ?
C24 C23 H23A 106.9 . . ?
C24 C23 H23B 106.9 . . ?
C24 C23 Sn1 121.6(6) . . ?
Sn1 C23 H23A 106.9 . . ?
Sn1 C23 H23B 106.9 . . ?
C23 C24 H24A 105.2 . . ?
C23 C24 H24B 105.2 . . ?
C23 C24 C25 128.3(11) . . ?
H24A C24 H24B 105.9 . . ?
C25 C24 H24A 105.2 . . ?
C25 C24 H24B 105.2 . . ?
C24 C25 H25A 111.2 . . ?
C24 C25 H25B 111.2 . . ?
H25A C25 H25B 109.2 . . ?
C26 C25 C24 102.6(14) . . ?
C26 C25 H25A 111.2 . . ?
C26 C25 H25B 111.2 . . ?
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 . . ?
C28 C27 C32 117.5(5) . . ?
O6 C27 C28 122.7(5) . . ?
O6 C27 C32 119.8(5) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 C27 122.2(6) . . ?
C29 C28 H28 118.9 . . ?
C28 C29 H29 120.4 . . ?
C28 C29 C30 119.2(5) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 C31 121.7(6) . . ?
C29 C30 N4 119.6(5) . . ?
C31 C30 N4 118.7(6) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.9(5) . . ?
C32 C31 H31 120.6 . . ?
C31 C32 C27 120.5(5) . . ?
C31 C32 N3 125.2(5) . . ?
N3 C32 C27 114.3(4) . . ?
C34 C33 H33 115.7 . . ?
N3 C33 H33 115.7 . . ?
N3 C33 C34 128.6(5) . . ?
C33 C34 C35 115.9(5) . . ?
C39 C34 C33 124.6(5) . . ?
C39 C34 C35 119.3(5) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 C34 123.0(5) . . ?
C36 C35 H35 118.5 . . ?
C35 C36 C37 116.2(5) . . ?
C35 C36 C41 123.8(5) . . ?
C37 C36 C41 120.0(5) . . ?
C36 C37 H37 117.9 . . ?
C38 C37 C36 124.3(5) . . ?
C38 C37 H37 117.9 . . ?
C37 C38 C39 118.9(5) . . ?
C37 C38 C40 120.5(5) . . ?
C39 C38 C40 120.6(5) . . ?
C34 C39 C38 118.4(5) . . ?
O7 C39 C34 123.0(5) . . ?
O7 C39 C38 118.6(5) . . ?
C38 C40 H40A 109.0 . . ?
C38 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
O8 C40 C38 112.9(4) . . ?
O8 C40 H40A 109.0 . . ?
O8 C40 H40B 109.0 . . ?
C42 C41 C36 110.0(5) . . ?
C43 C41 C36 107.0(6) . . ?
C43 C41 C42 110.9(8) . . ?
C44 C41 C36 110.5(5) . . ?
C44 C41 C42 107.6(7) . . ?
C44 C41 C43 110.9(7) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
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 . . ?
H45A C45 H45B 107.3 . . ?
C46 C45 H45A 108.0 . . ?
C46 C45 H45B 108.0 . . ?
C46 C45 Sn2 117.0(6) . . ?
Sn2 C45 H45A 108.0 . . ?
Sn2 C45 H45B 108.0 . . ?
C45 C46 H46A 107.5 . . ?
C45 C46 H46B 107.5 . . ?
C45 C46 C47 119.1(10) . . ?
H46A C46 H46B 107.0 . . ?
C47 C46 H46A 107.5 . . ?
C47 C46 H46B 107.5 . . ?
C46 C47 H47A 106.9 . . ?
C46 C47 H47B 106.9 . . ?
H47A C47 H47B 106.7 . . ?
C48 C47 C46 121.8(12) . . ?
C48 C47 H47A 106.9 . . ?
C48 C47 H47B 106.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
H49A C49 H49B 107.2 . . ?
Sn2 C49 H49A 108.0 . . ?
Sn2 C49 H49B 108.0 . . ?
C50 C49 H49A 108.0 . . ?
C50 C49 H49B 108.0 . . ?
C50 C49 Sn2 117.2(7) . . ?
C6 N1 Sn1 113.4(3) . . ?
C7 N1 C6 121.0(4) . . ?
C7 N1 Sn1 125.4(3) . . ?
O4 N2 C4 119.0(5) . . ?
O5 N2 C4 118.0(6) . . ?
O5 N2 O4 122.9(5) . . ?
C32 N3 Sn2 113.7(3) . . ?
C33 N3 C32 120.5(4) . . ?
C33 N3 Sn2 125.1(4) . . ?
O9 N4 C30 118.4(5) . . ?
O10 N4 C30 119.4(6) . . ?
O10 N4 O9 122.2(6) . . ?
C1 O1 Sn1 116.8(3) . . ?
C13 O2 Sn1 131.4(3) . . ?
C14 O3 H3A 109.5 . . ?
C27 O6 Sn2 117.2(3) . . ?
C39 O7 Sn2 130.5(3) . . ?
C40 O8 H8 109.5 . . ?
C19 Sn1 N1 110.44(19) . . ?
C19 Sn1 O1 94.4(2) . . ?
C19 Sn1 O2 88.27(19) . . ?
C23 Sn1 C19 146.8(2) . . ?
C23 Sn1 N1 102.6(2) . . ?
C23 Sn1 O1 96.6(3) . . ?
C23 Sn1 O2 93.1(3) . . ?
O1 Sn1 N1 75.25(13) . . ?
O2 Sn1 N1 82.87(14) . . ?
O2 Sn1 O1 157.50(14) . . ?
C45 Sn2 N3 110.1(2) . . ?
C45 Sn2 O6 94.6(2) . . ?
C45 Sn2 O7 86.3(2) . . ?
C49 Sn2 C45 148.8(3) . . ?
C49 Sn2 N3 100.1(2) . . ?
C49 Sn2 O6 100.7(2) . . ?
C49 Sn2 O7 90.4(2) . . ?
O6 Sn2 N3 74.79(14) . . ?
O7 Sn2 N3 82.10(14) . . ?
O7 Sn2 O6 155.74(14) . . ?
C49 C50 H50A 107.8 . . ?
C49 C50 H50B 107.8 . . ?
C49 C50 C51 117.9(10) . . ?
H50A C50 H50B 107.2 . . ?
C51 C50 H50A 107.8 . . ?
C51 C50 H50B 107.8 . . ?
C50 C51 H51A 113.3 . . ?
C50 C51 H51B 113.3 . . ?
H51A C51 H51B 110.6 . . ?
C52 C51 C50 91.9(15) . . ?
C52 C51 H51A 113.3 . . ?
C52 C51 H51B 113.3 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C17 C15 C10 111.6(5) . . ?
C17 C15 C18 110.8(9) . . ?
C17 C15 C16 107.2(9) . . ?
C18 C15 C10 113.5(6) . . ?
C18 C15 C16 106.6(11) . . ?
C16 C15 C10 106.6(6) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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
C1 C2 1.409(7) . ?
C1 C6 1.423(6) . ?
C1 O1 1.314(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.381(8) . ?
C4 C5 1.391(7) . ?
C4 N2 1.460(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(7) . ?
C6 N1 1.431(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.421(7) . ?
C7 N1 1.313(6) . ?
C8 C9 1.417(6) . ?
C8 C13 1.416(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.370(7) . ?
C10 C11 1.401(7) . ?
C10 C15 1.544(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.370(6) . ?
C12 C13 1.433(7) . ?
C12 C14 1.490(7) . ?
C13 O2 1.300(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 O3 1.426(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.453(9) . ?
C19 Sn1 2.118(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.534(12) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.404(14) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.374(12) . ?
C23 Sn1 2.112(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.618(15) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.262(18) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.410(7) . ?
C27 C32 1.431(7) . ?
C27 O6 1.302(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.346(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.389(8) . ?
C30 C31 1.400(7) . ?
C30 N4 1.454(8) . ?
C31 H31 0.9300 . ?
C31 C32 1.373(7) . ?
C32 N3 1.419(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.414(7) . ?
C33 N3 1.301(6) . ?
C34 C35 1.431(7) . ?
C34 C39 1.413(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.353(8) . ?
C36 C37 1.417(8) . ?
C36 C41 1.570(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.374(7) . ?
C38 C39 1.425(7) . ?
C38 C40 1.485(7) . ?
C39 O7 1.311(6) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 O8 1.434(6) . ?
C41 C42 1.524(10) . ?
C41 C43 1.504(11) . ?
C41 C44 1.481(10) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.390(10) . ?
C45 Sn2 2.116(6) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 C47 1.527(15) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 C48 1.413(16) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 Sn2 2.097(6) . ?
C49 C50 1.346(13) . ?
N1 Sn1 2.227(4) . ?
N2 O4 1.210(6) . ?
N2 O5 1.198(7) . ?
N3 Sn2 2.224(4) . ?
N4 O9 1.217(7) . ?
N4 O10 1.213(6) . ?
O1 Sn1 2.160(3) . ?
O2 Sn1 2.148(3) . ?
O3 H3A 0.8200 . ?
O6 Sn2 2.167(4) . ?
O7 Sn2 2.158(4) . ?
O8 H8 0.8200 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.847(17) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.186(19) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C15 C17 1.432(10) . ?
C15 C18 1.466(11) . ?
C15 C16 1.502(12) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
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
C1 C2 C3 C4 -3.3(8) . . . . ?
C1 C6 N1 C7 173.8(4) . . . . ?
C1 C6 N1 Sn1 -0.8(5) . . . . ?
C2 C1 C6 C5 -2.3(7) . . . . ?
C2 C1 C6 N1 179.3(4) . . . . ?
C2 C1 O1 Sn1 -178.5(4) . . . . ?
C2 C3 C4 C5 1.1(9) . . . . ?
C2 C3 C4 N2 180.0(5) . . . . ?
C3 C4 C5 C6 0.5(8) . . . . ?
C3 C4 N2 O4 -171.5(6) . . . . ?
C3 C4 N2 O5 11.3(9) . . . . ?
C4 C5 C6 C1 0.2(7) . . . . ?
C4 C5 C6 N1 178.4(5) . . . . ?
C5 C4 N2 O4 7.5(9) . . . . ?
C5 C4 N2 O5 -169.7(6) . . . . ?
C5 C6 N1 C7 -4.5(7) . . . . ?
C5 C6 N1 Sn1 -179.1(4) . . . . ?
C6 C1 C2 C3 3.9(8) . . . . ?
C6 C1 O1 Sn1 0.6(6) . . . . ?
C7 C8 C9 C10 -177.9(5) . . . . ?
C7 C8 C13 C12 -179.2(5) . . . . ?
C7 C8 C13 O2 -2.5(8) . . . . ?
C8 C7 N1 C6 -176.6(5) . . . . ?
C8 C7 N1 Sn1 -2.7(8) . . . . ?
C8 C9 C10 C11 -2.7(8) . . . . ?
C8 C9 C10 C15 177.0(5) . . . . ?
C8 C13 O2 Sn1 20.4(7) . . . . ?
C9 C8 C13 C12 1.6(7) . . . . ?
C9 C8 C13 O2 178.3(5) . . . . ?
C9 C10 C11 C12 1.1(8) . . . . ?
C9 C10 C15 C17 -125.3(9) . . . . ?
C9 C10 C15 C18 0.8(12) . . . . ?
C9 C10 C15 C16 117.9(9) . . . . ?
C10 C11 C12 C13 1.8(8) . . . . ?
C10 C11 C12 C14 -175.7(5) . . . . ?
C11 C10 C15 C17 54.4(9) . . . . ?
C11 C10 C15 C18 -179.5(10) . . . . ?
C11 C10 C15 C16 -62.4(9) . . . . ?
C11 C12 C13 C8 -3.1(7) . . . . ?
C11 C12 C13 O2 -179.9(4) . . . . ?
C11 C12 C14 O3 -105.4(5) . . . . ?
C12 C13 O2 Sn1 -162.9(3) . . . . ?
C13 C8 C9 C10 1.4(8) . . . . ?
C13 C12 C14 O3 77.1(6) . . . . ?
C14 C12 C13 C8 174.4(4) . . . . ?
C14 C12 C13 O2 -2.4(7) . . . . ?
C19 C20 C21 C22 -22.1(15) . . . . ?
C23 C24 C25 C26 46(2) . . . . ?
C27 C28 C29 C30 0.8(9) . . . . ?
C27 C32 N3 C33 -168.7(5) . . . . ?
C27 C32 N3 Sn2 2.4(5) . . . . ?
C28 C27 C32 C31 0.3(8) . . . . ?
C28 C27 C32 N3 -179.2(5) . . . . ?
C28 C27 O6 Sn2 175.9(4) . . . . ?
C28 C29 C30 C31 0.3(9) . . . . ?
C28 C29 C30 N4 179.0(6) . . . . ?
C29 C30 C31 C32 -1.1(8) . . . . ?
C29 C30 N4 O9 174.3(6) . . . . ?
C29 C30 N4 O10 -3.2(9) . . . . ?
C30 C31 C32 C27 0.8(8) . . . . ?
C30 C31 C32 N3 -179.8(5) . . . . ?
C31 C30 N4 O9 -6.9(9) . . . . ?
C31 C30 N4 O10 175.6(6) . . . . ?
C31 C32 N3 C33 11.9(8) . . . . ?
C31 C32 N3 Sn2 -177.1(4) . . . . ?
C32 C27 C28 C29 -1.1(8) . . . . ?
C32 C27 O6 Sn2 -4.7(6) . . . . ?
C33 C34 C35 C36 -176.2(5) . . . . ?
C33 C34 C39 C38 175.0(5) . . . . ?
C33 C34 C39 O7 -2.7(9) . . . . ?
C34 C33 N3 C32 180.0(5) . . . . ?
C34 C33 N3 Sn2 10.1(9) . . . . ?
C34 C35 C36 C37 1.7(9) . . . . ?
C34 C35 C36 C41 -179.7(6) . . . . ?
C34 C39 O7 Sn2 -20.5(8) . . . . ?
C35 C34 C39 C38 0.2(8) . . . . ?
C35 C34 C39 O7 -177.5(5) . . . . ?
C35 C36 C37 C38 -1.9(8) . . . . ?
C35 C36 C41 C42 16.0(9) . . . . ?
C35 C36 C41 C43 -104.7(8) . . . . ?
C35 C36 C41 C44 134.6(7) . . . . ?
C36 C37 C38 C39 1.2(8) . . . . ?
C36 C37 C38 C40 -178.9(5) . . . . ?
C37 C36 C41 C42 -165.5(7) . . . . ?
C37 C36 C41 C43 73.9(8) . . . . ?
C37 C36 C41 C44 -46.9(9) . . . . ?
C37 C38 C39 C34 -0.3(7) . . . . ?
C37 C38 C39 O7 177.4(5) . . . . ?
C37 C38 C40 O8 105.3(5) . . . . ?
C38 C39 O7 Sn2 161.9(4) . . . . ?
C39 C34 C35 C36 -0.9(9) . . . . ?
C39 C38 C40 O8 -74.8(6) . . . . ?
C40 C38 C39 C34 179.8(5) . . . . ?
C40 C38 C39 O7 -2.5(7) . . . . ?
C41 C36 C37 C38 179.5(5) . . . . ?
C45 C46 C47 C48 28(2) . . . . ?
C49 C50 C51 C52 72.8(18) . . . . ?
N1 C7 C8 C9 173.1(5) . . . . ?
N1 C7 C8 C13 -6.2(9) . . . . ?
N2 C4 C5 C6 -178.4(5) . . . . ?
N3 C33 C34 C35 -177.6(6) . . . . ?
N3 C33 C34 C39 7.4(10) . . . . ?
N4 C30 C31 C32 -179.8(5) . . . . ?
O1 C1 C2 C3 -176.9(5) . . . . ?
O1 C1 C6 C5 178.5(4) . . . . ?
O1 C1 C6 N1 0.1(6) . . . . ?
O6 C27 C28 C29 178.3(6) . . . . ?
O6 C27 C32 C31 -179.1(5) . . . . ?
O6 C27 C32 N3 1.4(7) . . . . ?
Sn1 C19 C20 C21 -172.5(6) . . . . ?
Sn1 C23 C24 C25 176.2(10) . . . . ?
Sn2 C45 C46 C47 168.4(9) . . . . ?
Sn2 C49 C50 C51 178.9(8) . . . . ?
C15 C10 C11 C12 -178.6(5) . . . . ?
