#------------------------------------------------------------------------------
#$Date: 2016-03-26 23:00:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180526 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/95/7219529.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_7219529
loop_
_publ_author_name
'Gholivand, K.'
'Gholami, A.'
'Ebrahimi, A. A. V.'
'Abolghasemi, S. T.'
'Esrafili, M. D.'
'Fadaei, F. T.'
'Schenk, K. J.'
_publ_section_title
;
 Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic
 and energy aspects from X-ray crystallography and theoretical
 calculations
;
_journal_issue                   23
_journal_name_full               'RSC Adv.'
_journal_page_first              17482
_journal_paper_doi               10.1039/C4RA12925C
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'C66 H55 Cl2 N O3 P2 Sn2'
_chemical_formula_sum            'C66 H55 Cl2 N O3 P2 Sn2'
_chemical_formula_weight         1280.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-04-22 deposited with the CCDC.
2015-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.1178(8)
_cell_length_b                   9.1500(4)
_cell_length_c                   18.8435(8)
_cell_measurement_reflns_used    5303
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     2850.7(2)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'APEX2 (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX2 DUO CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36601
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         8320
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0276P)²+1.5187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0608
_reflns_number_gt                7205
_reflns_number_total             8320
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            c4ra12925c2.cif
_cod_data_source_block           Ag16
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7219529
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn -0.081636(6) 1.110761(12) -0.302290(6) 0.01637(4) Uani 1 1 d . . .
Cl1 Cl -0.21722(2) 1.19423(5) -0.39672(2) 0.02262(8) Uani 1 1 d . . .
P1 P 0.11996(2) 1.00673(5) -0.13735(2) 0.01657(8) Uani 1 1 d . . .
O1 O 0.04758(7) 1.02683(13) -0.21147(7) 0.0206(2) Uani 1 1 d . A .
O2 O 0.1142(17) 1.065(3) -0.0603(17) 0.0233(6) Uani 0.50 1 d P A 1
N1 N 0.115(2) 1.068(4) -0.058(2) 0.0233(6) Uani 0.50 1 d P A 2
H1N H 0.1463 1.1501 -0.0302 0.028 Uiso 0.50 1 d PR A 2
C1 C 0.14460(9) 0.81626(17) -0.12234(9) 0.0166(3) Uani 1 1 d . A .
C2 C 0.19270(10) 0.76113(18) -0.04853(10) 0.0208(3) Uani 1 1 d . . .
H2A H 0.2112 0.8243 -0.0047 0.025 Uiso 1 1 calc R A .
C3 C 0.21334(11) 0.61406(19) -0.03938(11) 0.0242(3) Uani 1 1 d . A .
H3A H 0.2453 0.5761 0.0108 0.029 Uiso 1 1 calc R . .
C4 C 0.18717(11) 0.5226(2) -0.10384(12) 0.0269(4) Uani 1 1 d . . .
H4A H 0.2022 0.4224 -0.0977 0.032 Uiso 1 1 calc R A .
C5 C 0.13937(13) 0.5764(2) -0.17692(12) 0.0289(4) Uani 1 1 d . A .
H5A H 0.1218 0.5132 -0.2207 0.035 Uiso 1 1 calc R . .
C6 C 0.11692(11) 0.7229(2) -0.18639(10) 0.0230(3) Uani 1 1 d . . .
H6A H 0.0828 0.7592 -0.2363 0.028 Uiso 1 1 calc R A .
C7 C 0.20465(10) 1.10857(17) -0.13737(9) 0.0163(3) Uani 1 1 d . A .
C8 C 0.27477(11) 1.13113(18) -0.07030(10) 0.0230(3) Uani 1 1 d . . .
H8A H 0.2795 1.0905 -0.0222 0.028 Uiso 1 1 calc R A .
C9 C 0.33779(11) 1.2131(2) -0.07365(11) 0.0281(4) Uani 1 1 d . A .
H9A H 0.3856 1.2288 -0.0279 0.034 Uiso 1 1 calc R . .
C10 C 0.33082(11) 1.2719(2) -0.14390(12) 0.0284(4) Uani 1 1 d . . .
H10A H 0.3741 1.3275 -0.1461 0.034 Uiso 1 1 calc R A .
C11 C 0.26116(11) 1.2503(2) -0.21098(11) 0.0273(4) Uani 1 1 d . A .
H11A H 0.2567 1.2915 -0.2588 0.033 Uiso 1 1 calc R . .
C12 C 0.19803(10) 1.1682(2) -0.20804(10) 0.0218(3) Uani 1 1 d . . .
H12A H 0.1504 1.1526 -0.2539 0.026 Uiso 1 1 calc R A .
C13 C 0.05634(11) 1.0304(2) -0.03040(11) 0.0251(4) Uani 1 1 d . . .
C14 C 0.00219(12) 0.9169(2) -0.06066(12) 0.0296(4) Uani 1 1 d . . .
H14A H 0.0036 0.8596 -0.1021 0.036 Uiso 1 1 calc R . .
C15 C 0.05457(12) 1.1135(2) 0.03019(12) 0.0281(4) Uani 1 1 d . . .
H15A H 0.0920 1.1913 0.0511 0.034 Uiso 1 1 calc R . .
C16 C -0.11187(10) 0.88547(18) -0.31036(10) 0.0213(3) Uani 1 1 d . . .
C17 C -0.13226(11) 0.8212(2) -0.25359(12) 0.0300(4) Uani 1 1 d . . .
H17A H -0.1334 0.8790 -0.2122 0.036 Uiso 1 1 calc R . .
C18 C -0.15099(12) 0.6726(2) -0.25729(14) 0.0388(5) Uani 1 1 d . . .
H18A H -0.1639 0.6295 -0.2179 0.047 Uiso 1 1 calc R . .
C19 C -0.15080(13) 0.5880(2) -0.31779(15) 0.0420(6) Uani 1 1 d . . .
H19A H -0.1643 0.4873 -0.3205 0.050 Uiso 1 1 calc R . .
C20 C -0.13096(13) 0.6503(2) -0.37419(14) 0.0370(5) Uani 1 1 d . . .
H20A H -0.1307 0.5920 -0.4158 0.044 Uiso 1 1 calc R . .
C21 C -0.11125(11) 0.7985(2) -0.37071(11) 0.0266(4) Uani 1 1 d . . .
H21A H -0.0973 0.8402 -0.4098 0.032 Uiso 1 1 calc R . .
C22 C -0.01314(10) 1.19050(18) -0.36294(9) 0.0174(3) Uani 1 1 d . . .
C23 C 0.02398(11) 1.09757(19) -0.39734(10) 0.0215(3) Uani 1 1 d . . .
H23A H 0.0143 0.9954 -0.3985 0.026 Uiso 1 1 calc R . .
C24 C 0.07478(12) 1.1516(2) -0.42998(11) 0.0297(4) Uani 1 1 d . . .
H24A H 0.0995 1.0866 -0.4531 0.036 Uiso 1 1 calc R . .
C25 C 0.08927(13) 1.3002(2) -0.42870(12) 0.0349(5) Uani 1 1 d . . .
H25A H 0.1245 1.3373 -0.4503 0.042 Uiso 1 1 calc R . .
C26 C 0.05243(14) 1.3947(2) -0.39591(12) 0.0342(4) Uani 1 1 d . . .
H26A H 0.0619 1.4968 -0.3957 0.041 Uiso 1 1 calc R . .
C27 C 0.00146(11) 1.3405(2) -0.36314(10) 0.0245(3) Uani 1 1 d . . .
H27A H -0.0236 1.4062 -0.3407 0.029 Uiso 1 1 calc R . .
C28 C -0.08034(10) 1.24323(19) -0.20930(9) 0.0193(3) Uani 1 1 d . . .
C29 C -0.01500(11) 1.3344(2) -0.16911(10) 0.0225(3) Uani 1 1 d . . .
H29A H 0.0311 1.3327 -0.1810 0.027 Uiso 1 1 calc R . .
C30 C -0.01681(12) 1.4280(2) -0.11169(11) 0.0293(4) Uani 1 1 d . . .
H30A H 0.0275 1.4915 -0.0853 0.035 Uiso 1 1 calc R . .
C31 C -0.08318(13) 1.4286(2) -0.09291(11) 0.0332(4) Uani 1 1 d . . .
H31A H -0.0841 1.4922 -0.0534 0.040 Uiso 1 1 calc R . .
C32 C -0.14834(13) 1.3366(3) -0.13160(12) 0.0333(4) Uani 1 1 d . . .
H32A H -0.1935 1.3360 -0.1182 0.040 Uiso 1 1 calc R . .
C33 C -0.14706(11) 1.2457(2) -0.18998(11) 0.0274(4) Uani 1 1 d . . .
H33A H -0.1921 1.1843 -0.2172 0.033 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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
C16 Sn1 C28 121.95(7) . .
C16 Sn1 C22 118.95(7) . .
C28 Sn1 C22 115.79(6) . .
C16 Sn1 O1 83.56(5) . .
C28 Sn1 O1 85.15(5) . .
C22 Sn1 O1 83.08(5) . .
C16 Sn1 Cl1 95.53(5) . .
C28 Sn1 Cl1 95.12(5) . .
C22 Sn1 Cl1 97.61(4) . .
O1 Sn1 Cl1 179.05(3) . .
O1 P1 O2 117.0(11) . .
O1 P1 N1 117.4(13) . .
O1 P1 C1 109.63(7) . .
O2 P1 C1 106.8(11) . .
N1 P1 C1 107.0(13) . .
O1 P1 C7 111.20(7) . .
O2 P1 C7 101.5(10) . .
N1 P1 C7 100.9(12) . .
C1 P1 C7 110.31(7) . .
P1 O1 Sn1 160.38(8) . .
C13 O2 P1 128.5(18) . .
C13 O2 H1N 107.7 . .
P1 O2 H1N 122.8 . .
C13 N1 P1 126(2) . .
C13 N1 H1N 111.3 . .
P1 N1 H1N 121.7 . .
C6 C1 C2 119.82(15) . .
C6 C1 P1 118.74(13) . .
C2 C1 P1 121.41(13) . .
C3 C2 C1 119.97(16) . .
C3 C2 H2A 120.0 . .
C1 C2 H2A 120.0 . .
C2 C3 C4 119.81(17) . .
C2 C3 H3A 120.1 . .
C4 C3 H3A 120.1 . .
C5 C4 C3 120.44(17) . .
C5 C4 H4A 119.8 . .
C3 C4 H4A 119.8 . .
C4 C5 C6 120.14(17) . .
C4 C5 H5A 119.9 . .
C6 C5 H5A 119.9 . .
C5 C6 C1 119.78(16) . .
C5 C6 H6A 120.1 . .
C1 C6 H6A 120.1 . .
C8 C7 C12 119.84(15) . .
C8 C7 P1 122.62(13) . .
C12 C7 P1 117.54(12) . .
C9 C8 C7 120.03(17) . .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C10 C9 C8 119.84(17) . .
C10 C9 H9A 120.1 . .
C8 C9 H9A 120.1 . .
C9 C10 C11 120.56(17) . .
C9 C10 H10A 119.7 . .
C11 C10 H10A 119.7 . .
C10 C11 C12 119.87(17) . .
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 . .
C11 C12 C7 119.87(16) . .
C11 C12 H12A 120.1 . .
C7 C12 H12A 120.1 . .
C14 C13 C15 120.11(16) . .
C14 C13 N1 123.4(14) . .
C15 C13 N1 116.5(14) . .
C14 C13 O2 121.5(11) . .
C15 C13 O2 118.4(11) . .
C13 C14 C15 119.89(19) . 3_575
C13 C14 H14A 120.1 . .
C15 C14 H14A 120.1 3_575 .
C13 C15 C14 120.00(19) . 3_575
C13 C15 H15A 120.0 . .
C14 C15 H15A 120.0 3_575 .
C21 C16 C17 118.58(17) . .
C21 C16 Sn1 121.71(13) . .
C17 C16 Sn1 119.71(14) . .
C18 C17 C16 120.5(2) . .
C18 C17 H17A 119.8 . .
C16 C17 H17A 119.8 . .
C19 C18 C17 120.3(2) . .
C19 C18 H18A 119.8 . .
C17 C18 H18A 119.8 . .
C20 C19 C18 119.71(19) . .
C20 C19 H19A 120.1 . .
C18 C19 H19A 120.1 . .
C19 C20 C21 120.5(2) . .
C19 C20 H20A 119.7 . .
C21 C20 H20A 119.7 . .
C16 C21 C20 120.4(2) . .
C16 C21 H21A 119.8 . .
C20 C21 H21A 119.8 . .
C23 C22 C27 117.95(16) . .
C23 C22 Sn1 122.48(12) . .
C27 C22 Sn1 119.34(12) . .
C24 C23 C22 121.35(17) . .
C24 C23 H23A 119.3 . .
C22 C23 H23A 119.3 . .
C25 C24 C23 119.80(18) . .
C25 C24 H24A 120.1 . .
C23 C24 H24A 120.1 . .
C26 C25 C24 119.97(18) . .
C26 C25 H25A 120.0 . .
C24 C25 H25A 120.0 . .
C25 C26 C27 120.24(18) . .
C25 C26 H26A 119.9 . .
C27 C26 H26A 119.9 . .
C26 C27 C22 120.67(17) . .
C26 C27 H27A 119.7 . .
C22 C27 H27A 119.7 . .
C29 C28 C33 118.83(16) . .
C29 C28 Sn1 120.73(12) . .
C33 C28 Sn1 120.35(13) . .
C30 C29 C28 120.45(17) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C31 C30 C29 120.03(19) . .
C31 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C30 C31 C32 120.24(18) . .
C30 C31 H31A 119.9 . .
C32 C31 H31A 119.9 . .
C33 C32 C31 119.56(18) . .
C33 C32 H32A 120.2 . .
C31 C32 H32A 120.2 . .
C32 C33 C28 120.86(18) . .
C32 C33 H33A 119.6 . .
C28 C33 H33A 119.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C16 2.1224(17) .
Sn1 C28 2.1229(17) .
Sn1 C22 2.1304(16) .
Sn1 O1 2.3922(12) .
Sn1 Cl1 2.4918(4) .
P1 O1 1.4853(12) .
P1 O2 1.59(3) .
P1 N1 1.64(4) .
P1 C1 1.7926(16) .
P1 C7 1.7953(17) .
O2 C13 1.42(3) .
O2 H1N 0.9962 .
N1 C13 1.40(4) .
N1 H1N 0.9564 .
C1 C6 1.394(2) .
C1 C2 1.399(2) .
C2 C3 1.388(2) .
C2 H2A 0.9500 .
C3 C4 1.389(3) .
C3 H3A 0.9500 .
C4 C5 1.383(3) .
C4 H4A 0.9500 .
C5 C6 1.391(3) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.393(2) .
C7 C12 1.398(2) .
C8 C9 1.389(3) .
C8 H8A 0.9500 .
C9 C10 1.386(3) .
C9 H9A 0.9500 .
C10 C11 1.387(3) .
C10 H10A 0.9500 .
C11 C12 1.388(2) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.382(3) .
C13 C15 1.383(3) .
C14 C15 1.395(2) 3_575
C14 H14A 0.9500 .
C15 C14 1.395(2) 3_575
C15 H15A 0.9500 .
C16 C21 1.392(3) .
C16 C17 1.396(3) .
C17 C18 1.396(3) .
C17 H17A 0.9500 .
C18 C19 1.379(4) .
C18 H18A 0.9500 .
C19 C20 1.377(4) .
C19 H19A 0.9500 .
C20 C21 1.397(3) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C23 1.397(2) .
C22 C27 1.398(2) .
C23 C24 1.390(3) .
C23 H23A 0.9500 .
C24 C25 1.383(3) .
C24 H24A 0.9500 .
C25 C26 1.383(3) .
C25 H25A 0.9500 .
C26 C27 1.395(3) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C28 C29 1.392(2) .
C28 C33 1.398(2) .
C29 C30 1.391(3) .
C29 H29A 0.9500 .
C30 C31 1.385(3) .
C30 H30A 0.9500 .
C31 C32 1.389(3) .
C31 H31A 0.9500 .
C32 C33 1.387(3) .
C32 H32A 0.9500 .
C33 H33A 0.9500 .
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_4
O2 P1 O1 Sn1 11.4(12) .
N1 P1 O1 Sn1 10.8(14) .
C1 P1 O1 Sn1 133.1(2) .
C7 P1 O1 Sn1 -104.6(2) .
C16 Sn1 O1 P1 -117.8(2) .
C28 Sn1 O1 P1 5.2(2) .
C22 Sn1 O1 P1 121.9(2) .
Cl1 Sn1 O1 P1 -101.9(19) .
O1 P1 O2 C13 56(3) .
N1 P1 O2 C13 -176(100) .
C1 P1 O2 C13 -68(3) .
C7 P1 O2 C13 177(2) .
O1 P1 N1 C13 56(3) .
O2 P1 N1 C13 4(100) .
C1 P1 N1 C13 -68(3) .
C7 P1 N1 C13 177(3) .
O1 P1 C1 C6 21.85(15) .
O2 P1 C1 C6 149.5(11) .
N1 P1 C1 C6 150.2(13) .
C7 P1 C1 C6 -100.92(14) .
O1 P1 C1 C2 -160.12(13) .
O2 P1 C1 C2 -32.4(11) .
N1 P1 C1 C2 -31.8(13) .
C7 P1 C1 C2 77.11(15) .
C6 C1 C2 C3 0.6(3) .
P1 C1 C2 C3 -177.43(13) .
C1 C2 C3 C4 1.0(3) .
C2 C3 C4 C5 -1.2(3) .
C3 C4 C5 C6 -0.2(3) .
C4 C5 C6 C1 1.8(3) .
C2 C1 C6 C5 -2.0(3) .
P1 C1 C6 C5 176.08(14) .
O1 P1 C7 C8 167.53(13) .
O2 P1 C7 C8 42.3(11) .
N1 P1 C7 C8 42.2(13) .
C1 P1 C7 C8 -70.63(15) .
O1 P1 C7 C12 -11.57(15) .
O2 P1 C7 C12 -136.8(11) .
N1 P1 C7 C12 -136.9(13) .
C1 P1 C7 C12 110.27(14) .
C12 C7 C8 C9 0.2(3) .
P1 C7 C8 C9 -178.87(13) .
C7 C8 C9 C10 -0.2(3) .
C8 C9 C10 C11 0.3(3) .
C9 C10 C11 C12 -0.5(3) .
C10 C11 C12 C7 0.5(3) .
C8 C7 C12 C11 -0.3(3) .
P1 C7 C12 C11 178.78(14) .
P1 N1 C13 C14 11(4) .
P1 N1 C13 C15 -168.9(19) .
P1 N1 C13 O2 -1(79) .
P1 O2 C13 C14 11(3) .
P1 O2 C13 C15 -168.8(17) .
P1 O2 C13 N1 179(100) .
C15 C13 C14 C15 0.3(3) 3_575
N1 C13 C14 C15 -179.9(18) 3_575
O2 C13 C14 C15 -179.4(14) 3_575
C14 C13 C15 C14 -0.3(3) 3_575
N1 C13 C15 C14 179.9(17) 3_575
O2 C13 C15 C14 179.4(14) 3_575
C28 Sn1 C16 C21 -178.86(13) .
C22 Sn1 C16 C21 -20.28(17) .
O1 Sn1 C16 C21 -98.68(14) .
Cl1 Sn1 C16 C21 81.58(14) .
C28 Sn1 C16 C17 0.51(17) .
C22 Sn1 C16 C17 159.09(13) .
O1 Sn1 C16 C17 80.69(14) .
Cl1 Sn1 C16 C17 -99.05(14) .
C21 C16 C17 C18 0.5(3) .
Sn1 C16 C17 C18 -178.92(14) .
C16 C17 C18 C19 -1.0(3) .
C17 C18 C19 C20 0.9(3) .
C18 C19 C20 C21 -0.2(3) .
C17 C16 C21 C20 0.2(3) .
Sn1 C16 C21 C20 179.60(14) .
C19 C20 C21 C16 -0.4(3) .
C16 Sn1 C22 C23 -10.75(16) .
C28 Sn1 C22 C23 149.12(13) .
O1 Sn1 C22 C23 67.93(14) .
Cl1 Sn1 C22 C23 -111.41(13) .
C16 Sn1 C22 C27 174.86(13) .
C28 Sn1 C22 C27 -25.28(16) .
O1 Sn1 C22 C27 -106.46(14) .
Cl1 Sn1 C22 C27 74.20(14) .
C27 C22 C23 C24 0.8(3) .
Sn1 C22 C23 C24 -173.65(14) .
C22 C23 C24 C25 0.0(3) .
C23 C24 C25 C26 -0.8(3) .
C24 C25 C26 C27 0.8(3) .
C25 C26 C27 C22 0.0(3) .
C23 C22 C27 C26 -0.8(3) .
Sn1 C22 C27 C26 173.85(15) .
C16 Sn1 C28 C29 131.98(13) .
C22 Sn1 C28 C29 -27.23(16) .
O1 Sn1 C28 C29 52.67(14) .
Cl1 Sn1 C28 C29 -128.24(13) .
C16 Sn1 C28 C33 -51.24(16) .
C22 Sn1 C28 C33 149.55(14) .
O1 Sn1 C28 C33 -130.55(15) .
Cl1 Sn1 C28 C33 48.54(14) .
C33 C28 C29 C30 -1.1(3) .
Sn1 C28 C29 C30 175.76(14) .
C28 C29 C30 C31 1.4(3) .
C29 C30 C31 C32 -0.4(3) .
C30 C31 C32 C33 -1.0(3) .
C31 C32 C33 C28 1.3(3) .
C29 C28 C33 C32 -0.3(3) .
Sn1 C28 C33 C32 -177.15(15) .
