#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/27/4072765.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_4072765
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Thirumoorthi, Ramalingam'
'Azhakar, Ramachandran'
_publ_contact_author             'Vadapalli Chandrasekhar'
_publ_section_title
;
 New Structural Forms of Organostannoxane Macrocycle Networks
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              26
_journal_paper_doi               10.1021/om061010x
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C33 H29.5 Cl0.5 N2 O5.75 Sn2'
_chemical_formula_weight         801.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 107.938(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   23.398(5)
_cell_length_b                   17.539(5)
_cell_length_c                   32.266(5)
_cell_measurement_temperature    100(2)
_cell_volume                     12598(5)
_computing_cell_refinement       'Bruker SMART V5.628'
_computing_data_collection       'Bruker SMART V5.628'
_computing_data_reduction        'Bruker SAINT+ V6.45'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SAINT+ V6.45'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  '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     0.71069
_diffrn_reflns_av_R_equivalents  0.0954
_diffrn_reflns_av_sigmaI/netI    0.1189
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            65147
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         4.08
_exptl_absorpt_coefficient_mu    0.419
_exptl_absorpt_correction_type   'Bruker SADABS V2.10'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .2
_refine_diff_density_max         1.397
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1472
_refine_ls_number_reflns         22138
_refine_ls_number_restraints     1309
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0696
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0752P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1766
_reflns_number_gt                12916
_reflns_number_total             22138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om061010xsi20061104_020211.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_original_formula_sum        'C33 H29.50 Cl0.50 N2 O5.75 Sn2'
_cod_database_code               4072765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.33171(3) 0.66061(4) -0.01440(2) 0.03132(18) Uani 1 1 d U . .
Sn2 Sn 0.36203(3) 0.76940(4) 0.15977(2) 0.03310(19) Uani 1 1 d U . .
Sn3 Sn 0.29433(3) 0.65230(4) 0.253405(19) 0.02861(18) Uani 1 1 d U . .
Sn4 Sn 0.27762(3) 0.67790(4) 0.370189(19) 0.02799(18) Uani 1 1 d U . .
Sn5 Sn 0.19113(3) 0.33806(4) 0.193239(19) 0.02407(16) Uani 1 1 d U . .
Sn6 Sn 0.17633(3) 0.36417(4) 0.310030(19) 0.02529(17) Uani 1 1 d U . .
Sn7 Sn 0.12204(3) 0.23767(4) 0.40858(2) 0.0383(2) Uani 1 1 d U . .
Sn8 Sn 0.15523(5) 0.14949(5) 0.08632(3) 0.0729(3) Uani 1 1 d U . .
Cl1 Cl 0.26674(14) 0.76597(16) -0.01976(9) 0.0493(7) Uani 1 1 d U . .
Cl2 Cl 0.21659(16) 0.2548(2) 0.08314(11) 0.0747(11) Uani 1 1 d U D .
N1 N 0.3177(4) 0.6632(4) 0.1551(2) 0.0321(19) Uani 1 1 d U . .
N2 N 0.3005(4) 0.6231(4) 0.1845(2) 0.0308(18) Uani 1 1 d U . .
N3 N 0.3270(3) 0.7546(4) 0.2986(2) 0.0257(16) Uani 1 1 d U . .
N4 N 0.3241(3) 0.7614(5) 0.3394(2) 0.0283(17) Uani 1 1 d U . .
N5 N 0.1757(4) 0.3880(4) 0.3814(2) 0.0311(18) Uani 1 1 d U . .
N6 N 0.1599(4) 0.3492(5) 0.4116(3) 0.038(2) Uani 1 1 d U . .
N7 N 0.1488(3) 0.2582(4) 0.2669(2) 0.0261(16) Uani 1 1 d U . .
N8 N 0.1535(3) 0.2477(4) 0.2270(2) 0.0283(17) Uani 1 1 d U . .
O1 O 0.3069(3) 0.6303(4) 0.0456(2) 0.0376(17) Uani 1 1 d U . .
O2 O 0.3443(3) 0.7269(4) 0.09120(19) 0.0373(17) Uani 1 1 d U . .
O3 O 0.2496(3) 0.5303(4) 0.22891(18) 0.0292(15) Uani 1 1 d U . .
O4 O 0.2232(3) 0.4483(4) 0.17318(18) 0.0270(14) Uani 1 1 d U . .
O5 O 0.3450(3) 0.7575(4) 0.22225(19) 0.0320(16) Uani 1 1 d U . .
O6 O 0.4018(3) 0.8623(4) 0.2381(2) 0.0388(18) Uani 1 1 d U . .
O7 O 0.3304(3) 0.8005(4) 0.42095(18) 0.0314(16) Uani 1 1 d U . .
O8 O 0.3936(3) 0.8973(4) 0.4216(2) 0.046(2) Uani 1 1 d U . .
O9 O 0.2259(3) 0.5778(4) 0.3845(2) 0.0354(16) Uani 1 1 d U . .
O10 O 0.2149(3) 0.4870(3) 0.33326(18) 0.0246(14) Uani 1 1 d U . .
O11 O 0.1290(4) 0.2880(5) 0.4747(2) 0.068(2) Uani 1 1 d U . .
O12 O 0.1341(3) 0.2510(4) 0.3448(2) 0.0335(16) Uani 1 1 d U . .
O13 O 0.0961(3) 0.1333(4) 0.3342(2) 0.0453(19) Uani 1 1 d U . .
O14 O 0.1606(3) 0.1962(4) 0.1498(2) 0.0448(19) Uani 1 1 d U D .
O15 O 0.1035(4) 0.0964(5) 0.1512(3) 0.072(3) Uani 1 1 d U D .
O16 O 0.1619(6) 0.1116(5) 0.0188(3) 0.117(5) Uani 1 1 d U . .
O17 O 0.2660(3) 0.6238(4) 0.31099(19) 0.0379(17) Uani 1 1 d U . .
H17A H 0.2445 0.5784 0.3080 0.046 Uiso 1 1 calc R . .
O18 O 0.1931(3) 0.3989(4) 0.24814(17) 0.0254(14) Uani 1 1 d U . .
H18A H 0.2027 0.4502 0.2470 0.030 Uiso 1 1 calc R . .
O19 O 0.0824(7) 0.0580(9) 0.2431(5) 0.173(6) Uiso 1 1 d U . .
O20 O 0.2069(5) 0.5366(8) 0.4750(4) 0.130(4) Uiso 1 1 d . . .
O21 O 0.4205(4) 0.9360(6) 0.3341(3) 0.096(3) Uiso 1 1 d U . .
O22 O 0.2296(5) 0.5011(7) 0.0820(4) 0.121(4) Uiso 1 1 d . . .
O23 O 0.2941(15) 0.286(2) 0.5156(12) 0.413(18) Uiso 1 1 d . . .
C1 C 0.3187(5) 0.6629(6) 0.0805(3) 0.033(2) Uani 1 1 d U . .
C2 C 0.3007(4) 0.6247(6) 0.1166(3) 0.030(2) Uani 1 1 d U . .
C3 C 0.2733(5) 0.5592(5) 0.1213(3) 0.031(2) Uani 1 1 d U . .
H3 H 0.2578 0.5219 0.1004 0.037 Uiso 1 1 calc R . .
C4 C 0.2735(4) 0.5598(5) 0.1652(3) 0.026(2) Uani 1 1 d U . .
C5 C 0.2466(4) 0.5078(5) 0.1907(3) 0.0229(19) Uani 1 1 d U . .
C6 C 0.3709(5) 0.8142(6) 0.2476(3) 0.032(2) Uani 1 1 d U . .
C7 C 0.3598(5) 0.8134(6) 0.2908(3) 0.032(2) Uani 1 1 d U . .
C8 C 0.3788(5) 0.8583(6) 0.3271(3) 0.034(2) Uani 1 1 d U . .
C9 C 0.3559(4) 0.8249(6) 0.3574(3) 0.031(2) Uani 1 1 d U . .
C10 C 0.3619(5) 0.8451(6) 0.4033(3) 0.036(2) Uani 1 1 d U . .
C11 C 0.2131(4) 0.5122(6) 0.3696(3) 0.029(2) Uani 1 1 d U . .
C12 C 0.1937(5) 0.4563(6) 0.3980(3) 0.035(2) Uani 1 1 d U . .
C13 C 0.1880(6) 0.4600(6) 0.4396(3) 0.056(3) Uani 1 1 d U . .
H13 H 0.1967 0.5018 0.4583 0.067 Uiso 1 1 calc R . .
C14 C 0.1682(6) 0.3941(6) 0.4476(3) 0.051(3) Uani 1 1 d U . .
C15 C 0.1522(7) 0.3543(7) 0.4836(4) 0.070(4) Uani 1 1 d U . .
C16 C 0.1178(4) 0.1890(6) 0.3221(3) 0.032(2) Uani 1 1 d U . .
C17 C 0.1237(4) 0.1928(5) 0.2775(3) 0.026(2) Uani 1 1 d U . .
C18 C 0.1134(4) 0.1438(6) 0.2445(3) 0.033(2) Uani 1 1 d U . .
H18 H 0.0970 0.0952 0.2433 0.040 Uiso 1 1 calc R . .
C19 C 0.1316(5) 0.1785(6) 0.2126(3) 0.034(2) Uani 1 1 d U D .
C20 C 0.1313(6) 0.1516(7) 0.1689(4) 0.053(3) Uani 1 1 d U . .
C21 C 0.2985(5) 0.5475(6) -0.0312(3) 0.038(2) Uani 1 1 d U . .
H21A H 0.2585 0.5431 -0.0283 0.045 Uiso 1 1 calc R . .
H21B H 0.2958 0.5370 -0.0612 0.045 Uiso 1 1 calc R . .
C22 C 0.3391(5) 0.4914(6) -0.0022(3) 0.040(2) Uani 1 1 d U . .
C23 C 0.3978(6) 0.4811(7) -0.0024(4) 0.057(3) Uani 1 1 d U . .
H23 H 0.4121 0.5086 -0.0218 0.069 Uiso 1 1 calc R . .
C24 C 0.4352(7) 0.4301(8) 0.0261(4) 0.076(4) Uani 1 1 d U . .
H24 H 0.4745 0.4233 0.0258 0.091 Uiso 1 1 calc R . .
C25 C 0.4138(9) 0.3884(10) 0.0555(5) 0.105(5) Uani 1 1 d U . .
H25 H 0.4395 0.3559 0.0756 0.126 Uiso 1 1 calc R . .
C26 C 0.3537(9) 0.3959(9) 0.0546(5) 0.102(5) Uani 1 1 d U . .
H26 H 0.3381 0.3651 0.0720 0.122 Uiso 1 1 calc R . .
C27 C 0.3178(7) 0.4502(8) 0.0274(4) 0.077(4) Uani 1 1 d U . .
H27 H 0.2793 0.4595 0.0288 0.092 Uiso 1 1 calc R . .
C28 C 0.4226(5) 0.6827(6) 0.0218(3) 0.042(2) Uani 1 1 d U . .
H28A H 0.4254 0.6874 0.0523 0.050 Uiso 1 1 calc R . .
H28B H 0.4467 0.6391 0.0190 0.050 Uiso 1 1 calc R . .
C29 C 0.4495(5) 0.7538(7) 0.0084(4) 0.049(3) Uani 1 1 d U . .
C30 C 0.4837(5) 0.7496(8) -0.0198(4) 0.061(3) Uani 1 1 d U . .
H30 H 0.4898 0.7031 -0.0317 0.074 Uiso 1 1 calc R . .
C31 C 0.5084(6) 0.8154(9) -0.0300(5) 0.083(4) Uani 1 1 d U . .
H31 H 0.5311 0.8125 -0.0490 0.100 Uiso 1 1 calc R . .
C32 C 0.5011(6) 0.8839(9) -0.0135(5) 0.080(4) Uani 1 1 d U . .
H32 H 0.5189 0.9272 -0.0207 0.096 Uiso 1 1 calc R . .
C33 C 0.4662(6) 0.8889(8) 0.0146(4) 0.077(4) Uani 1 1 d U . .
H33 H 0.4595 0.9359 0.0257 0.093 Uiso 1 1 calc R . .
C34 C 0.4416(6) 0.8228(7) 0.0259(4) 0.056(3) Uani 1 1 d U . .
H34 H 0.4197 0.8254 0.0455 0.067 Uiso 1 1 calc R . .
C35 C 0.3129(5) 0.8700(6) 0.1363(3) 0.037(2) Uani 1 1 d U . .
H35A H 0.2774 0.8575 0.1123 0.045 Uiso 1 1 calc R . .
H35B H 0.2999 0.8929 0.1593 0.045 Uiso 1 1 calc R . .
C36 C 0.3506(5) 0.9256(6) 0.1212(3) 0.039(2) Uani 1 1 d U . .
C37 C 0.3976(5) 0.9637(6) 0.1497(3) 0.039(3) Uani 1 1 d U . .
H37 H 0.4070 0.9536 0.1793 0.047 Uiso 1 1 calc R . .
C38 C 0.4311(6) 1.0162(7) 0.1361(4) 0.059(3) Uani 1 1 d U . .
H38 H 0.4631 1.0403 0.1564 0.071 Uiso 1 1 calc R . .
C39 C 0.4183(7) 1.0330(9) 0.0936(4) 0.087(5) Uani 1 1 d U . .
H39 H 0.4401 1.0701 0.0845 0.105 Uiso 1 1 calc R . .
C40 C 0.3710(8) 0.9937(10) 0.0627(4) 0.107(6) Uani 1 1 d U . .
H40 H 0.3622 1.0047 0.0332 0.128 Uiso 1 1 calc R . .
C41 C 0.3374(7) 0.9379(8) 0.0766(4) 0.079(4) Uani 1 1 d U . .
H41 H 0.3074 0.9103 0.0566 0.095 Uiso 1 1 calc R . .
C42 C 0.4577(4) 0.7600(6) 0.1773(3) 0.039(2) Uani 1 1 d U . .
H42A H 0.4737 0.8094 0.1730 0.047 Uiso 1 1 calc R . .
H42B H 0.4730 0.7483 0.2081 0.047 Uiso 1 1 calc R . .
C43 C 0.4821(5) 0.7015(6) 0.1530(3) 0.037(2) Uani 1 1 d U . .
C44 C 0.5239(5) 0.7227(7) 0.1328(3) 0.042(3) Uani 1 1 d U . .
H44 H 0.5348 0.7737 0.1330 0.050 Uiso 1 1 calc R . .
C45 C 0.5501(5) 0.6697(7) 0.1124(4) 0.049(3) Uani 1 1 d U . .
H45 H 0.5791 0.6850 0.0998 0.059 Uiso 1 1 calc R . .
C46 C 0.5332(5) 0.5944(7) 0.1107(3) 0.048(3) Uani 1 1 d U . .
H46 H 0.5507 0.5586 0.0971 0.057 Uiso 1 1 calc R . .
C47 C 0.4893(5) 0.5715(7) 0.1296(3) 0.047(3) Uani 1 1 d U . .
H47 H 0.4767 0.5210 0.1280 0.056 Uiso 1 1 calc R . .
C48 C 0.4653(5) 0.6253(6) 0.1506(3) 0.042(3) Uani 1 1 d U . .
H48 H 0.4368 0.6101 0.1636 0.050 Uiso 1 1 calc R . .
C49 C 0.3767(4) 0.5912(6) 0.2812(3) 0.036(2) Uani 1 1 d U . .
H49A H 0.3748 0.5681 0.3080 0.044 Uiso 1 1 calc R . .
H49B H 0.3779 0.5500 0.2614 0.044 Uiso 1 1 calc R . .
C50 C 0.4339(5) 0.6326(6) 0.2910(3) 0.037(2) Uani 1 1 d U . .
C51 C 0.4692(5) 0.6217(8) 0.2633(4) 0.056(3) Uani 1 1 d U . .
H51 H 0.4562 0.5884 0.2399 0.067 Uiso 1 1 calc R . .
C52 C 0.5216(7) 0.6590(9) 0.2704(5) 0.077(4) Uani 1 1 d U . .
H52 H 0.5447 0.6513 0.2518 0.093 Uiso 1 1 calc R . .
C53 C 0.5408(7) 0.7076(9) 0.3043(5) 0.078(4) Uani 1 1 d U . .
H53 H 0.5761 0.7349 0.3080 0.093 Uiso 1 1 calc R . .
C54 C 0.5090(6) 0.7177(8) 0.3339(5) 0.071(4) Uani 1 1 d U . .
H54 H 0.5233 0.7497 0.3578 0.086 Uiso 1 1 calc R . .
C55 C 0.4546(5) 0.6781(7) 0.3266(4) 0.051(3) Uani 1 1 d U . .
H55 H 0.4327 0.6831 0.3461 0.061 Uiso 1 1 calc R . .
C56 C 0.2099(5) 0.7072(6) 0.2244(3) 0.039(2) Uani 1 1 d U . .
H56A H 0.1821 0.6875 0.2387 0.047 Uiso 1 1 calc R . .
H56B H 0.2154 0.7609 0.2315 0.047 Uiso 1 1 calc R . .
C57 C 0.1795(4) 0.7014(7) 0.1760(3) 0.041(3) Uani 1 1 d U . .
C58 C 0.1428(5) 0.6428(7) 0.1569(4) 0.047(3) Uani 1 1 d U . .
H58 H 0.1357 0.6047 0.1747 0.056 Uiso 1 1 calc R . .
C59 C 0.1162(6) 0.6369(9) 0.1135(4) 0.072(4) Uani 1 1 d U . .
H59 H 0.0913 0.5956 0.1022 0.086 Uiso 1 1 calc R . .
C60 C 0.1254(7) 0.6895(12) 0.0871(5) 0.098(5) Uani 1 1 d U . .
H60 H 0.1067 0.6857 0.0572 0.118 Uiso 1 1 calc R . .
C61 C 0.1622(6) 0.7492(12) 0.1036(5) 0.107(6) Uani 1 1 d U . .
H61 H 0.1690 0.7860 0.0849 0.128 Uiso 1 1 calc R . .
C62 C 0.1898(5) 0.7558(9) 0.1483(4) 0.076(4) Uani 1 1 d U . .
H62 H 0.2151 0.7968 0.1595 0.091 Uiso 1 1 calc R . .
C63 C 0.3559(5) 0.6339(6) 0.4173(3) 0.040(2) Uani 1 1 d U . .
H63A H 0.3904 0.6612 0.4142 0.048 Uiso 1 1 calc R . .
H63B H 0.3531 0.6457 0.4460 0.048 Uiso 1 1 calc R . .
C64 C 0.3681(5) 0.5495(6) 0.4158(3) 0.037(2) Uani 1 1 d U . .
C65 C 0.3438(5) 0.4994(7) 0.4388(3) 0.048(3) Uani 1 1 d U . .
H65 H 0.3184 0.5169 0.4539 0.058 Uiso 1 1 calc R . .
C66 C 0.3580(5) 0.4216(7) 0.4390(4) 0.050(3) Uani 1 1 d U . .
H66 H 0.3417 0.3877 0.4545 0.060 Uiso 1 1 calc R . .
C67 C 0.3953(5) 0.3943(8) 0.4169(4) 0.053(3) Uani 1 1 d U . .
H67 H 0.4050 0.3428 0.4177 0.063 Uiso 1 1 calc R . .
C68 C 0.4176(5) 0.4435(7) 0.3941(4) 0.048(3) Uani 1 1 d U . .
H68 H 0.4414 0.4250 0.3780 0.058 Uiso 1 1 calc R . .
C69 C 0.4064(5) 0.5212(7) 0.3938(3) 0.048(3) Uani 1 1 d U . .
H69 H 0.4242 0.5543 0.3789 0.058 Uiso 1 1 calc R . .
C70 C 0.1946(4) 0.7356(6) 0.3617(3) 0.037(3) Uiso 1 1 d U . .
C71 C 0.1924(5) 0.8195(6) 0.3514(3) 0.038(3) Uiso 1 1 d U . .
C72 C 0.1924(7) 0.8409(10) 0.3107(5) 0.091(5) Uiso 1 1 d U . .
C73 C 0.1842(10) 0.9099(15) 0.2868(8) 0.160(8) Uiso 1 1 d U . .
C74 C 0.1944(7) 0.9580(10) 0.3189(6) 0.091(5) Uiso 1 1 d U A .
C75 C 0.1931(7) 0.9668(9) 0.3554(5) 0.029(4) Uiso 0.60 1 d PU A 1
C75' C 0.1718(11) 0.9371(16) 0.3845(8) 0.039(7) Uiso 0.40 1 d PU B 2
C76 C 0.2008(9) 0.8861(12) 0.3738(6) 0.030(5) Uiso 0.50 1 d PU A 1
C76' C 0.1800(10) 0.8580(14) 0.3903(8) 0.047(6) Uiso 0.50 1 d PU B 2
C77 C 0.2766(4) 0.2854(6) 0.2036(3) 0.039(2) Uani 1 1 d U . .
H77A H 0.2839 0.2525 0.2289 0.046 Uiso 1 1 calc R . .
H77B H 0.2738 0.2528 0.1788 0.046 Uiso 1 1 calc R . .
C78 C 0.3304(4) 0.3353(6) 0.2103(3) 0.036(2) Uani 1 1 d U . .
C79 C 0.3437(5) 0.3688(7) 0.1748(4) 0.048(3) Uani 1 1 d U . .
H79 H 0.3168 0.3627 0.1470 0.058 Uiso 1 1 calc R . .
C80 C 0.3947(6) 0.4099(8) 0.1798(5) 0.074(4) Uani 1 1 d U . .
H80 H 0.4028 0.4307 0.1557 0.088 Uiso 1 1 calc R . .
C81 C 0.4353(6) 0.4205(8) 0.2219(6) 0.073(4) Uani 1 1 d U . .
H81 H 0.4705 0.4478 0.2255 0.087 Uiso 1 1 calc R . .
C82 C 0.4232(5) 0.3911(8) 0.2571(5) 0.072(4) Uani 1 1 d U . .
H82 H 0.4493 0.4004 0.2848 0.086 Uiso 1 1 calc R . .
C83 C 0.3715(5) 0.3467(7) 0.2518(4) 0.059(3) Uani 1 1 d U . .
H83 H 0.3645 0.3247 0.2761 0.070 Uiso 1 1 calc R . .
C84 C 0.1107(4) 0.3593(7) 0.1406(3) 0.041(2) Uani 1 1 d U . .
H84A H 0.1198 0.3963 0.1212 0.049 Uiso 1 1 calc R . .
H84B H 0.0989 0.3124 0.1244 0.049 Uiso 1 1 calc R . .
C85 C 0.0590(5) 0.3879(6) 0.1537(3) 0.039(2) Uani 1 1 d U . .
C86 C 0.0210(6) 0.3373(10) 0.1613(5) 0.092(5) Uani 1 1 d U . .
H86 H 0.0324 0.2869 0.1598 0.111 Uiso 1 1 calc R . .
C87 C -0.0324(8) 0.3459(14) 0.1709(7) 0.129(6) Uani 1 1 d U . .
H87 H -0.0608 0.3097 0.1721 0.155 Uiso 1 1 calc R . .
C88 C -0.0316(10) 0.4176(15) 0.1776(5) 0.125(6) Uani 1 1 d U . .
H88 H -0.0597 0.4270 0.1920 0.150 Uiso 1 1 calc R . .
C89 C -0.0096(8) 0.4798(11) 0.1733(6) 0.123(7) Uani 1 1 d U . .
H89 H -0.0232 0.5279 0.1781 0.147 Uiso 1 1 calc R . .
C90 C 0.0468(7) 0.4601(9) 0.1577(5) 0.110(5) Uani 1 1 d U . .
H90 H 0.0704 0.4985 0.1515 0.131 Uiso 1 1 calc R . .
C91 C 0.2670(4) 0.3255(5) 0.3352(3) 0.029(2) Uani 1 1 d U . .
H91A H 0.2852 0.3300 0.3120 0.034 Uiso 1 1 calc R . .
H91B H 0.2882 0.3605 0.3580 0.034 Uiso 1 1 calc R . .
C92 C 0.2786(4) 0.2469(6) 0.3530(3) 0.028(2) Uani 1 1 d U . .
C93 C 0.2921(4) 0.2335(6) 0.3974(3) 0.035(2) Uani 1 1 d U . .
H93 H 0.2905 0.2739 0.4157 0.042 Uiso 1 1 calc R . .
C94 C 0.3083(5) 0.1610(7) 0.4155(4) 0.045(3) Uani 1 1 d U . .
H94 H 0.3169 0.1532 0.4453 0.054 Uiso 1 1 calc R . .
C95 C 0.3111(5) 0.1023(7) 0.3887(4) 0.054(3) Uani 1 1 d U . .
H95 H 0.3219 0.0538 0.4001 0.065 Uiso 1 1 calc R . .
C96 C 0.2982(5) 0.1143(7) 0.3451(4) 0.057(3) Uani 1 1 d U . .
H96 H 0.3005 0.0737 0.3271 0.069 Uiso 1 1 calc R . .
C97 C 0.2816(4) 0.1857(6) 0.3268(3) 0.037(2) Uani 1 1 d U . .
H97 H 0.2726 0.1924 0.2969 0.045 Uiso 1 1 calc R . .
C98 C 0.0863(4) 0.4038(6) 0.2873(3) 0.036(2) Uani 1 1 d U . .
H98A H 0.0704 0.3923 0.2565 0.043 Uiso 1 1 calc R . .
H98B H 0.0628 0.3752 0.3021 0.043 Uiso 1 1 calc R . .
C99 C 0.0768(5) 0.4878(7) 0.2934(4) 0.050(3) Uani 1 1 d U . .
C100 C 0.0869(6) 0.5408(8) 0.2653(5) 0.077(4) Uani 1 1 d U . .
H100 H 0.1025 0.5218 0.2442 0.093 Uiso 1 1 calc R . .
C101 C 0.0776(7) 0.6150(10) 0.2641(8) 0.114(6) Uani 1 1 d U . .
H101 H 0.0838 0.6465 0.2427 0.137 Uiso 1 1 calc R . .
C102 C 0.0590(8) 0.6397(14) 0.2954(10) 0.147(7) Uani 1 1 d U . .
H102 H 0.0519 0.6919 0.2954 0.177 Uiso 1 1 calc R . .
C103 C 0.0482(8) 0.5984(15) 0.3290(8) 0.143(7) Uani 1 1 d U . .
H103 H 0.0360 0.6213 0.3509 0.171 Uiso 1 1 calc R . .
C104 C 0.0579(6) 0.5128(12) 0.3271(5) 0.114(5) Uani 1 1 d U . .
H104 H 0.0513 0.4795 0.3476 0.137 Uiso 1 1 calc R . .
C105 C 0.1782(5) 0.1455(6) 0.4397(3) 0.042(2) Uani 1 1 d U . .
H10A H 0.1923 0.1181 0.4186 0.050 Uiso 1 1 calc R . .
H10B H 0.2129 0.1649 0.4623 0.050 Uiso 1 1 calc R . .
C106 C 0.1435(6) 0.0932(7) 0.4592(4) 0.061(3) Uani 1 1 d U . .
C107 C 0.1044(8) 0.0402(12) 0.4340(5) 0.134(7) Uani 1 1 d U . .
H107 H 0.0999 0.0398 0.4044 0.161 Uiso 1 1 calc R . .
C108 C 0.0706(10) -0.0134(14) 0.4491(7) 0.187(9) Uani 1 1 d U . .
H108 H 0.0463 -0.0507 0.4318 0.224 Uiso 1 1 calc R . .
C109 C 0.0788(11) -0.0028(16) 0.4948(9) 0.176(9) Uani 1 1 d U . .
H109 H 0.0566 -0.0342 0.5073 0.212 Uiso 1 1 calc R . .
C110 C 0.1153(11) 0.0477(11) 0.5210(7) 0.136(7) Uani 1 1 d U . .
H110 H 0.1184 0.0508 0.5504 0.163 Uiso 1 1 calc R . .
C111 C 0.1484(8) 0.0955(9) 0.5027(5) 0.100(5) Uani 1 1 d U . .
H111 H 0.1747 0.1303 0.5206 0.120 Uiso 1 1 calc R . .
C112 C 0.0267(5) 0.2286(8) 0.3931(5) 0.073(3) Uani 1 1 d U . .
H11A H 0.0145 0.1788 0.3804 0.088 Uiso 1 1 calc R . .
H11B H 0.0164 0.2313 0.4200 0.088 Uiso 1 1 calc R . .
C113 C -0.0093(6) 0.2893(10) 0.3619(7) 0.087(4) Uani 1 1 d U . .
C114 C -0.0227(8) 0.3588(12) 0.3782(9) 0.160(7) Uani 1 1 d U . .
H114 H -0.0102 0.3704 0.4078 0.192 Uiso 1 1 calc R . .
C115 C -0.0574(12) 0.4111(16) 0.3456(13) 0.203(10) Uani 1 1 d U . .
H115 H -0.0697 0.4576 0.3538 0.243 Uiso 1 1 calc R . .
C116 C -0.0717(13) 0.3929(18) 0.3039(12) 0.192(10) Uani 1 1 d U . .
H116 H -0.0893 0.4309 0.2840 0.230 Uiso 1 1 calc R . .
C117 C -0.0633(10) 0.3249(16) 0.2873(9) 0.159(8) Uani 1 1 d U . .
H117 H -0.0799 0.3118 0.2581 0.191 Uiso 1 1 calc R . .
C118 C -0.0272(6) 0.2766(11) 0.3186(6) 0.103(5) Uani 1 1 d U . .
H118 H -0.0144 0.2318 0.3089 0.124 Uiso 1 1 calc R . .
H8 H 0.4011 0.9013 0.3289 0.124 Uiso 1 1 d R . .
C91A C 0.2119(8) 0.0495(12) 0.1078(6) 0.124(6) Uiso 1 1 d U C .
C92A C 0.2423(7) 0.0439(9) 0.1531(5) 0.036(4) Uiso 0.65 1 d PU C 1
C92B C 0.2812(14) 0.0795(18) 0.1558(10) 0.037(7) Uiso 0.35 1 d PU C 2
C93A C 0.3134(9) 0.0867(12) 0.1878(7) 0.131(7) Uiso 1 1 d U . .
C94A C 0.3213(8) 0.0541(11) 0.2327(6) 0.095(5) Uiso 1 1 d U C .
C95A C 0.2849(11) 0.0051(14) 0.2373(7) 0.137(7) Uiso 1 1 d U . .
C96A C 0.2392(13) -0.0404(18) 0.2169(10) 0.194(10) Uiso 1 1 d U C .
C97A C 0.2337(17) 0.019(2) 0.1835(13) 0.103(12) Uiso 0.50 1 d PU C 1
C97B C 0.2111(11) -0.0146(15) 0.1741(8) 0.049(7) Uiso 0.50 1 d PU C 2
C81A C 0.0648(13) 0.2056(18) 0.0540(9) 0.059(8) Uiso 0.50 1 d PU D 1
C81B C 0.0718(12) 0.1329(16) 0.0531(9) 0.064(7) Uiso 0.50 1 d PU D 2
C82A C 0.0091(13) 0.1565(18) 0.0371(10) 0.074(8) Uiso 0.50 1 d PU D 1
C82B C 0.0397(14) 0.2041(18) 0.0575(9) 0.055(7) Uiso 0.50 1 d PU D 2
C83A C -0.0128(16) 0.140(2) -0.0067(13) 0.109(11) Uiso 0.50 1 d PU D 1
C83B C 0.0387(14) 0.261(2) 0.0320(10) 0.086(9) Uiso 0.50 1 d PU D 2
C84A C -0.0671(15) 0.089(2) -0.0266(11) 0.096(10) Uiso 0.50 1 d PU D 1
C84B C -0.0069(13) 0.3228(17) 0.0294(10) 0.078(8) Uiso 0.50 1 d PU D 2
C85A C -0.0932(13) 0.0599(17) -0.0065(10) 0.074(8) Uiso 0.50 1 d PU D 1
C85B C -0.0467(16) 0.324(2) 0.0553(12) 0.111(11) Uiso 0.50 1 d PU D 2
C86A C -0.068(2) 0.051(3) 0.0340(17) 0.157(15) Uiso 0.50 1 d PU D 1
C86B C -0.053(2) 0.260(3) 0.0763(15) 0.143(14) Uiso 0.50 1 d PU D 2
C87A C -0.0128(18) 0.105(3) 0.0623(14) 0.126(12) Uiso 0.50 1 d PU D 1
C87B C -0.0081(18) 0.200(2) 0.0783(13) 0.121(11) Uiso 0.50 1 d PU D 2
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'
Cl Cl 0.1484 0.1585 '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
C28 Sn1 C21 122.2(4) . .
C28 Sn1 O7 100.7(3) . 4_575
C21 Sn1 O7 98.7(3) . 4_575
C28 Sn1 O1 92.9(3) . .
C21 Sn1 O1 80.1(3) . .
O7 Sn1 O1 164.5(3) 4_575 .
C28 Sn1 Cl1 114.2(3) . .
C21 Sn1 Cl1 122.1(3) . .
O7 Sn1 Cl1 82.35(17) 4_575 .
O1 Sn1 Cl1 85.22(18) . .
N1 Sn2 C35 120.6(3) . .
N1 Sn2 C42 113.6(3) . .
C35 Sn2 C42 124.6(3) . .
N1 Sn2 O5 75.93(18) . .
C35 Sn2 O5 100.2(3) . .
C42 Sn2 O5 102.9(3) . .
N1 Sn2 O2 72.55(18) . .
C35 Sn2 O2 90.5(3) . .
C42 Sn2 O2 95.4(3) . .
O5 Sn2 O2 147.9(2) . .
C56 Sn3 C49 176.8(4) . .
C56 Sn3 O17 89.7(3) . .
C49 Sn3 O17 90.0(2) . .
C56 Sn3 N3 90.5(3) . .
C49 Sn3 N3 92.5(3) . .
O17 Sn3 N3 76.74(17) . .
C56 Sn3 N2 90.1(3) . .
C49 Sn3 N2 88.7(3) . .
O17 Sn3 N2 150.96(19) . .
N3 Sn3 N2 132.3(3) . .
C56 Sn3 O3 90.4(3) . .
C49 Sn3 O3 86.4(3) . .
O17 Sn3 O3 82.1(2) . .
N3 Sn3 O3 158.78(17) . .
N2 Sn3 O3 68.90(19) . .
O17 Sn4 C63 109.4(3) . .
O17 Sn4 C70 104.1(3) . .
C63 Sn4 C70 144.2(4) . .
O17 Sn4 N4 80.48(18) . .
C63 Sn4 N4 97.2(3) . .
C70 Sn4 N4 100.4(3) . .
O17 Sn4 O9 84.6(2) . .
C63 Sn4 O9 88.3(3) . .
C70 Sn4 O9 82.6(3) . .
N4 Sn4 O9 165.07(18) . .
O18 Sn5 C77 108.5(3) . .
O18 Sn5 C84 111.9(3) . .
C77 Sn5 C84 138.7(4) . .
O18 Sn5 O4 83.1(2) . .
C77 Sn5 O4 92.2(3) . .
C84 Sn5 O4 84.9(3) . .
O18 Sn5 N8 81.82(19) . .
C77 Sn5 N8 96.1(3) . .
C84 Sn5 N8 97.3(3) . .
O4 Sn5 N8 164.48(19) . .
C98 Sn6 C91 178.0(4) . .
C98 Sn6 O18 91.8(3) . .
C91 Sn6 O18 89.9(2) . .
C98 Sn6 N7 89.6(3) . .
C91 Sn6 N7 91.9(3) . .
O18 Sn6 N7 76.84(17) . .
C98 Sn6 N5 88.5(3) . .
C91 Sn6 N5 89.4(3) . .
O18 Sn6 N5 152.20(19) . .
N7 Sn6 N5 131.0(3) . .
C98 Sn6 O10 93.0(3) . .
C91 Sn6 O10 86.1(3) . .
O18 Sn6 O10 83.1(2) . .
N7 Sn6 O10 159.84(17) . .
N5 Sn6 O10 69.14(19) . .
C105 Sn7 C112 120.1(5) . .
C105 Sn7 N6 119.1(3) . .
C112 Sn7 N6 117.8(4) . .
C105 Sn7 O12 106.7(3) . .
C112 Sn7 O12 102.6(4) . .
N6 Sn7 O12 76.8(2) . .
C105 Sn7 O11 89.8(3) . .
C112 Sn7 O11 90.9(4) . .
N6 Sn7 O11 72.1(2) . .
O12 Sn7 O11 148.8(3) . .
C81B Sn8 O14 109.5(8) . .
C81B Sn8 C91A 117.7(10) . .
O14 Sn8 C91A 98.7(5) . .
C81B Sn8 C81A 34.5(10) . .
O14 Sn8 C81A 92.6(7) . .
C91A Sn8 C81A 152.0(9) . .
C81B Sn8 O16 77.6(8) . .
O14 Sn8 O16 171.2(4) . .
C91A Sn8 O16 81.9(5) . .
C81A Sn8 O16 90.9(7) . .
C81B Sn8 Cl2 128.0(8) . .
O14 Sn8 Cl2 83.50(18) . .
C91A Sn8 Cl2 109.0(5) . .
C81A Sn8 Cl2 97.7(8) . .
O16 Sn8 Cl2 88.0(3) . .
N2 N1 C2 108.5(6) . .
N2 N1 Sn2 131.3(5) . .
C2 N1 Sn2 120.2(4) . .
C4 N2 N1 108.1(6) . .
C4 N2 Sn3 117.9(4) . .
N1 N2 Sn3 133.0(6) . .
N4 N3 C7 108.5(6) . .
N4 N3 Sn3 125.9(6) . .
C7 N3 Sn3 125.1(4) . .
N3 N4 C9 107.7(6) . .
N3 N4 Sn4 123.8(6) . .
C9 N4 Sn4 128.5(4) . .
C12 N5 N6 107.0(6) . .
C12 N5 Sn6 117.4(4) . .
N6 N5 Sn6 135.6(6) . .
N5 N6 C14 109.1(7) . .
N5 N6 Sn7 129.8(6) . .
C14 N6 Sn7 121.0(5) . .
N8 N7 C17 107.0(6) . .
N8 N7 Sn6 127.2(6) . .
C17 N7 Sn6 125.8(4) . .
N7 N8 C19 108.6(6) . .
N7 N8 Sn5 121.9(6) . .
C19 N8 Sn5 129.5(4) . .
C1 O1 Sn1 129.8(6) . .
C1 O2 Sn2 119.2(5) . .
C5 O3 Sn3 118.7(6) . .
C5 O4 Sn5 137.8(5) . .
C6 O5 Sn2 108.8(5) . .
C10 O7 Sn1 112.5(6) . 4_576
C11 O9 Sn4 135.9(6) . .
C11 O10 Sn6 119.4(6) . .
C15 O11 Sn7 118.0(6) . .
C16 O12 Sn7 109.9(6) . .
C20 O14 Sn8 109.3(6) . .
C15 O16 Sn8 132.3(8) 4_565 .
Sn4 O17 Sn3 132.9(3) . .
Sn5 O18 Sn6 131.6(3) . .
O1 C1 O2 128.4(9) . .
O1 C1 C2 117.9(9) . .
O2 C1 C2 113.8(8) . .
C3 C2 N1 109.8(7) . .
C3 C2 C1 136.0(8) . .
N1 C2 C1 114.2(7) . .
C2 C3 C4 104.5(8) . .
N2 C4 C3 109.1(7) . .
N2 C4 C5 118.2(7) . .
C3 C4 C5 132.5(9) . .
O4 C5 O3 126.0(8) . .
O4 C5 C4 118.1(8) . .
O3 C5 C4 115.9(8) . .
O6 C6 O5 124.7(8) . .
O6 C6 C7 122.1(9) . .
O5 C6 C7 113.2(8) . .
N3 C7 C8 109.4(7) . .
N3 C7 C6 116.9(8) . .
C8 C7 C6 133.6(9) . .
C7 C8 C9 105.5(8) . .
N4 C9 C8 108.9(7) . .
N4 C9 C10 119.4(8) . .
C8 C9 C10 131.7(9) . .
O8 C10 O7 125.1(8) . .
O8 C10 C9 121.6(9) . .
O7 C10 C9 113.3(9) . .
O9 C11 O10 127.2(9) . .
O9 C11 C12 116.6(8) . .
O10 C11 C12 116.1(9) . .
N5 C12 C13 108.5(8) . .
N5 C12 C11 117.5(7) . .
C13 C12 C11 134.0(10) . .
C14 C13 C12 107.2(10) . .
C13 C14 N6 108.2(8) . .
C13 C14 C15 139.1(11) . .
N6 C14 C15 112.8(9) . .
O16 C15 O11 126.2(11) 4_566 .
O16 C15 C14 117.8(12) 4_566 .
O11 C15 C14 116.0(10) . .
O13 C16 O12 124.7(9) . .
O13 C16 C17 121.1(10) . .
O12 C16 C17 114.0(8) . .
C18 C17 N7 108.9(7) . .
C18 C17 C16 134.1(9) . .
N7 C17 C16 116.8(8) . .
C17 C18 C19 106.9(9) . .
N8 C19 C18 108.5(8) . .
N8 C19 C20 120.1(8) . .
C18 C19 C20 131.3(10) . .
O15 C20 O14 122.8(10) . .
O15 C20 C19 123.0(10) . .
O14 C20 C19 114.0(9) . .
C22 C21 Sn1 110.1(7) . .
C23 C22 C27 119.6(12) . .
C23 C22 C21 121.7(10) . .
C27 C22 C21 118.6(11) . .
C24 C23 C22 120.4(13) . .
C23 C24 C25 120.1(14) . .
C26 C25 C24 119.9(15) . .
C27 C26 C25 118.9(15) . .
C26 C27 C22 120.8(14) . .
C29 C28 Sn1 115.2(7) . .
C34 C29 C30 119.7(12) . .
C34 C29 C28 119.1(11) . .
C30 C29 C28 121.2(12) . .
C31 C30 C29 118.8(14) . .
C32 C31 C30 122.8(16) . .
C31 C32 C33 118.9(15) . .
C34 C33 C32 119.2(15) . .
C29 C34 C33 120.6(13) . .
C36 C35 Sn2 110.5(7) . .
C37 C36 C41 119.6(8) . .
C37 C36 C35 122.2(9) . .
C41 C36 C35 118.2(8) . .
C38 C37 C36 122.3(10) . .
C39 C38 C37 120.3(12) . .
C38 C39 C40 119.5(12) . .
C41 C40 C39 120.2(10) . .
C36 C41 C40 117.9(9) . .
C43 C42 Sn2 116.6(7) . .
C44 C43 C48 117.5(10) . .
C44 C43 C42 119.9(10) . .
C48 C43 C42 122.6(9) . .
C43 C44 C45 121.6(11) . .
C46 C45 C44 119.8(10) . .
C45 C46 C47 119.9(11) . .
C48 C47 C46 118.7(11) . .
C47 C48 C43 122.4(10) . .
C50 C49 Sn3 119.0(7) . .
C55 C50 C51 119.4(11) . .
C55 C50 C49 122.5(10) . .
C51 C50 C49 118.1(10) . .
C52 C51 C50 120.7(13) . .
C51 C52 C53 120.1(14) . .
C52 C53 C54 121.5(14) . .
C53 C54 C55 118.1(13) . .
C50 C55 C54 120.1(12) . .
C57 C56 Sn3 120.1(7) . .
C58 C57 C62 116.2(11) . .
C58 C57 C56 123.5(10) . .
C62 C57 C56 120.3(11) . .
C59 C58 C57 123.7(13) . .
C60 C59 C58 120.0(15) . .
C59 C60 C61 119.8(14) . .
C60 C61 C62 120.5(14) . .
C57 C62 C61 119.7(14) . .
C64 C63 Sn4 117.4(7) . .
C65 C64 C69 118.9(11) . .
C65 C64 C63 119.5(10) . .
C69 C64 C63 121.4(10) . .
C64 C65 C66 119.0(11) . .
C67 C66 C65 121.5(12) . .
C68 C67 C66 118.6(12) . .
C67 C68 C69 122.1(12) . .
C68 C69 C64 119.7(12) . .
C71 C70 Sn4 117.3(7) . .
C76 C71 C72 103.4(14) . .
C76 C71 C70 137.2(13) . .
C72 C71 C70 118.2(11) . .
C76 C71 C76' 38.2(10) . .
C72 C71 C76' 136.3(14) . .
C70 C71 C76' 104.6(12) . .
C71 C72 C73 136.0(18) . .
C74 C73 C72 99(2) . .
C75 C74 C73 144(2) . .
C74 C75 C76 103.2(16) . .
C71 C76 C75 127.8(16) . .
C75' C76' C71 112(2) . .
C78 C77 Sn5 118.5(7) . .
C83 C78 C79 117.4(10) . .
C83 C78 C77 121.4(10) . .
C79 C78 C77 121.0(10) . .
C80 C79 C78 122.1(12) . .
C79 C80 C81 119.3(13) . .
C82 C81 C80 120.4(13) . .
C81 C82 C83 120.3(14) . .
C78 C83 C82 120.4(12) . .
C85 C84 Sn5 115.3(6) . .
C90 C85 C86 116.6(14) . .
C90 C85 C84 125.0(14) . .
C86 C85 C84 118.5(12) . .
C85 C86 C87 132.0(18) . .
C88 C87 C86 100(2) . .
C89 C88 C87 147(2) . .
C88 C89 C90 105.0(16) . .
C85 C90 C89 117.8(17) . .
C92 C91 Sn6 118.9(6) . .
C97 C92 C93 117.6(9) . .
C97 C92 C91 121.4(8) . .
C93 C92 C91 120.8(9) . .
C92 C93 C94 122.0(10) . .
C95 C94 C93 118.7(10) . .
C94 C95 C96 120.1(11) . .
C95 C96 C97 121.5(12) . .
C92 C97 C96 120.1(10) . .
C99 C98 Sn6 116.4(7) . .
C104 C99 C100 118.2(15) . .
C104 C99 C98 120.9(14) . .
C100 C99 C98 120.8(11) . .
C101 C100 C99 129.0(18) . .
C102 C101 C100 114(2) . .
C101 C102 C103 128(2) . .
C102 C103 C104 114.6(17) . .
C99 C104 C103 116.0(18) . .
C106 C105 Sn7 109.2(8) . .
C111 C106 C107 116.9(14) . .
C111 C106 C105 121.9(13) . .
C107 C106 C105 121.2(12) . .
C106 C107 C108 126.1(17) . .
C107 C108 C109 111(2) . .
C110 C109 C108 126.3(19) . .
C109 C110 C111 117.6(18) . .
C106 C111 C110 122.2(18) . .
C113 C112 Sn7 115.2(8) . .
C118 C113 C114 120(2) . .
C118 C113 C112 120.1(16) . .
C114 C113 C112 120(2) . .
C113 C114 C115 115(3) . .
C116 C115 C114 120(3) . .
C115 C116 C117 127(3) . .
C116 C117 C118 112(3) . .
C113 C118 C117 125(2) . .
C92A C91A C92B 33.3(11) . .
C92A C91A Sn8 116.5(13) . .
C92B C91A Sn8 108.2(13) . .
C97A C92A C91A 138(3) . .
C97A C92A C93A 90(2) . .
C91A C92A C93A 131.8(16) . .
C93A C92B C91A 164(3) . .
C92B C93A C94A 135(3) . .
C92B C93A C92A 31.2(19) . .
C94A C93A C92A 104.2(14) . .
C95A C94A C93A 119.2(19) . .
C94A C95A C96A 145(3) . .
C94A C95A C97A 94(2) . .
C96A C95A C97A 53.7(19) . .
C95A C96A C97B 111(3) . .
C95A C96A C97A 79(3) . .
C97B C96A C97A 31.5(17) . .
C92A C97A C96A 154(4) . .
C92A C97A C95A 130(3) . .
C96A C97A C95A 46.9(18) . .
C82A C81A Sn8 120(2) . .
C82B C81B Sn8 106(2) . .
C83A C82A C87A 112(3) . .
C83A C82A C81A 120(3) . .
C87A C82A C81A 125(3) . .
C83B C82B C87B 117(3) . .
C83B C82B C81B 120(3) . .
C87B C82B C81B 119(3) . .
C82A C83A C84A 124(3) . .
C82B C83B C84B 118(3) . .
C85A C84A C83A 123(4) . .
C85B C84B C83B 124(3) . .
C84A C85A C86A 118(4) . .
C86B C85B C84B 118(4) . .
C85A C86A C87A 123(4) . .
C85B C86B C87B 115(4) . .
C82A C87A C86A 114(4) . .
C86B C87B C82B 126(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C28 2.123(10) .
Sn1 C21 2.139(10) .
Sn1 O7 2.186(6) 4_575
Sn1 O1 2.251(6) .
Sn1 Cl1 2.365(3) .
Sn2 N1 2.114(8) .
Sn2 C35 2.116(10) .
Sn2 C42 2.140(10) .
Sn2 O5 2.182(6) .
Sn2 O2 2.249(6) .
Sn3 C56 2.136(10) .
Sn3 C49 2.144(10) .
Sn3 O17 2.214(6) .
Sn3 N3 2.290(7) .
Sn3 N2 2.330(7) .
Sn3 O3 2.406(6) .
Sn4 O17 2.075(6) .
Sn4 C63 2.132(10) .
Sn4 C70 2.132(10) .
Sn4 N4 2.232(7) .
Sn4 O9 2.260(6) .
Sn5 O18 2.056(6) .
Sn5 C77 2.133(9) .
Sn5 C84 2.143(9) .
Sn5 O4 2.240(6) .
Sn5 N8 2.250(7) .
Sn6 C98 2.123(9) .
Sn6 C91 2.136(9) .
Sn6 O18 2.236(5) .
Sn6 N7 2.293(8) .
Sn6 N5 2.346(7) .
Sn6 O10 2.367(6) .
Sn7 C105 2.130(10) .
Sn7 C112 2.136(12) .
Sn7 N6 2.137(8) .
Sn7 O12 2.175(6) .
Sn7 O11 2.268(8) .
Sn8 C81B 1.94(3) .
Sn8 O14 2.173(6) .
Sn8 C91A 2.18(2) .
Sn8 C81A 2.27(3) .
Sn8 O16 2.330(7) .
Sn8 Cl2 2.361(3) .
N1 N2 1.338(9) .
N1 C2 1.360(9) .
N2 C4 1.333(9) .
N3 N4 1.345(9) .
N3 C7 1.355(9) .
N4 C9 1.365(10) .
N5 C12 1.326(10) .
N5 N6 1.330(9) .
N6 C14 1.366(10) .
N7 N8 1.338(9) .
N7 C17 1.378(9) .
N8 C19 1.343(10) .
O1 C1 1.216(10) .
O2 C1 1.270(11) .
O3 C5 1.277(10) .
O4 C5 1.232(10) .
O5 C6 1.311(11) .
O6 C6 1.209(11) .
O7 C10 1.319(11) .
O7 Sn1 2.186(6) 4_576
O8 C10 1.211(11) .
O9 C11 1.247(11) .
O10 C11 1.267(10) .
O11 C15 1.278(15) .
O12 C16 1.301(12) .
O13 C16 1.219(11) .
O14 C20 1.311(12) .
O15 C20 1.207(12) .
O16 C15 1.238(14) 4_565
C1 C2 1.513(12) .
C2 C3 1.346(13) .
C3 C4 1.415(11) .
C4 C5 1.490(12) .
C6 C7 1.494(12) .
C7 C8 1.368(12) .
C8 C9 1.382(12) .
C9 C10 1.485(12) .
C11 C12 1.503(12) .
C12 C13 1.391(13) .
C13 C14 1.299(15) .
C14 C15 1.501(14) .
C15 O16 1.238(14) 4_566
C16 C17 1.490(12) .
C17 C18 1.332(13) .
C18 C19 1.369(12) .
C19 C20 1.488(13) .
C21 C22 1.482(14) .
C22 C23 1.388(15) .
C22 C27 1.404(14) .
C23 C24 1.384(16) .
C24 C25 1.407(19) .
C25 C26 1.40(2) .
C26 C27 1.389(18) .
C28 C29 1.519(14) .
C29 C34 1.372(16) .
C29 C30 1.386(15) .
C30 C31 1.375(17) .
C31 C32 1.35(2) .
C32 C33 1.397(19) .
C33 C34 1.392(16) .
C35 C36 1.494(13) .
C36 C37 1.370(14) .
C36 C41 1.394(11) .
C37 C38 1.367(14) .
C38 C39 1.341(16) .
C39 C40 1.418(18) .
C40 C41 1.411(13) .
C42 C43 1.506(14) .
C43 C44 1.382(13) .
C43 C48 1.389(14) .
C44 C45 1.387(15) .
C45 C46 1.376(16) .
C46 C47 1.403(14) .
C47 C48 1.378(14) .
C49 C50 1.468(13) .
C50 C55 1.359(14) .
C50 C51 1.404(14) .
C51 C52 1.348(17) .
C52 C53 1.350(19) .
C53 C54 1.391(19) .
C54 C55 1.405(16) .
C56 C57 1.507(14) .
C57 C58 1.359(14) .
C57 C62 1.377(15) .
C58 C59 1.350(15) .
C59 C60 1.32(2) .
C60 C61 1.36(2) .
C61 C62 1.392(18) .
C63 C64 1.513(14) .
C64 C65 1.380(14) .
C64 C69 1.394(14) .
C65 C66 1.403(15) .
C66 C67 1.373(15) .
C67 C68 1.339(16) .
C68 C69 1.387(15) .
C70 C71 1.505(14) .
C71 C76 1.36(2) .
C71 C72 1.365(18) .
C71 C76' 1.53(2) .
C72 C73 1.42(3) .
C73 C74 1.30(3) .
C74 C75 1.20(2) .
C75 C76 1.52(3) .
C75' C76' 1.40(3) .
C77 C78 1.495(14) .
C78 C83 1.402(15) .
C78 C79 1.406(14) .
C79 C80 1.360(15) .
C80 C81 1.409(19) .
C81 C82 1.353(19) .
C82 C83 1.405(17) .
C84 C85 1.486(14) .
C85 C90 1.314(16) .
C85 C86 1.331(16) .
C86 C87 1.39(2) .
C87 C88 1.27(2) .
C88 C89 1.23(3) .
C89 C90 1.59(2) .
C91 C92 1.487(13) .
C92 C97 1.380(13) .
C92 C93 1.390(12) .
C93 C94 1.402(14) .
C94 C95 1.361(16) .
C95 C96 1.362(16) .
C96 C97 1.388(15) .
C98 C99 1.511(15) .
C99 C104 1.364(15) .
C99 C100 1.369(17) .
C100 C101 1.32(2) .
C101 C102 1.29(3) .
C102 C103 1.39(3) .
C103 C104 1.52(3) .
C105 C106 1.487(14) .
C106 C111 1.376(16) .
C106 C107 1.379(19) .
C107 C108 1.41(2) .
C108 C109 1.44(3) .
C109 C110 1.34(3) .
C110 C111 1.39(2) .
C112 C113 1.529(19) .
C113 C118 1.35(2) .
C113 C114 1.40(2) .
C114 C115 1.44(3) .
C115 C116 1.32(4) .
C116 C117 1.35(4) .
C117 C118 1.39(2) .
C91A C92A 1.42(2) .
C91A C92B 1.94(4) .
C92A C97A 1.15(4) .
C92A C93A 1.85(3) .
C92B C93A 1.08(3) .
C93A C94A 1.51(2) .
C94A C95A 1.25(2) .
C95A C96A 1.33(3) .
C95A C97A 1.80(4) .
C96A C97B 1.41(4) .
C96A C97A 1.47(4) .
C81A C82A 1.52(4) .
C81B C82B 1.49(4) .
C82A C83A 1.38(4) .
C82A C87A 1.41(4) .
C82B C83B 1.29(4) .
C82B C87B 1.47(4) .
C83A C84A 1.52(4) .
C83B C84B 1.50(4) .
C84A C85A 1.14(4) .
C84B C85B 1.43(4) .
C85A C86A 1.27(5) .
C85B C86B 1.35(5) .
C86A C87A 1.63(5) .
C86B C87B 1.47(5) .
