#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:48:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178724 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/35/4083546.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_4083546
loop_
_publ_author_name
'Mairychová, Barbora'
'Štěpnička, Petr'
'Ru̇žička, Aleš'
'Dostál, Libor'
'Jambor, Roman'
_publ_section_title
;
 Reactivity Studies on an Intramolecularly Coordinated Organotin(IV)
 Carbonate
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              3021
_journal_paper_doi               10.1021/om5002759
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C114 H108 Fe6 O18 Sn6, 6(C H Cl3)'
_chemical_formula_sum            'C120 H114 Cl18 Fe6 O18 Sn6'
_chemical_formula_weight         3529.45
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                119.821(5)
_cell_angle_beta                 117.234(6)
_cell_angle_gamma                90.760(7)
_cell_formula_units_Z            1
_cell_length_a                   15.7261(16)
_cell_length_b                   16.6270(12)
_cell_length_c                   16.655(2)
_cell_measurement_reflns_used    61583
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     3191.5(7)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_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  0.0378
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            61480
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.419
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.251
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_description       block
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.571
_refine_diff_density_min         -3.248
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         14562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0390
_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)+(0.0258P)²+16.0534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0961
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12778
_reflns_number_total             14562
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5002759_si_001.cif
_cod_data_source_block           compound6
_cod_depositor_comments
'Adding full bibliography for 4083545--4083549.cif.'
_cod_database_code               4083546
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
Sn1 Sn 0.58727(2) 0.17879(2) 0.64097(2) 0.01188(6) Uani 1 1 d . .
Sn2 Sn 0.60328(2) -0.06481(2) 0.60535(2) 0.01315(6) Uani 1 1 d . .
Sn3 Sn 0.43002(2) 0.03061(2) 0.61625(2) 0.01309(6) Uani 1 1 d . .
Fe1 Fe 0.23063(4) 0.37183(4) 0.66475(5) 0.01708(12) Uani 1 1 d . .
Fe3 Fe 0.28414(5) -0.36226(5) 0.56087(5) 0.02180(13) Uani 1 1 d . .
Fe2 Fe 0.81786(6) 0.25043(7) 1.11601(6) 0.0425(2) Uani 1 1 d . .
Cl9 Cl 0.23760(11) 0.46495(11) -0.01675(11) 0.0458(3) Uani 1 1 d . .
Cl7 Cl 0.39705(13) 0.45159(17) 0.14892(16) 0.0726(6) Uani 1 1 d . .
Cl8 Cl 0.20721(13) 0.44890(19) 0.13336(15) 0.0758(6) Uani 1 1 d . .
O7 O 0.58260(19) 0.07191(18) 0.6709(2) 0.0135(5) Uani 1 1 d . .
O9 O 0.4457(2) -0.10111(19) 0.5187(2) 0.0141(5) Uani 1 1 d . .
O8 O 0.43232(19) 0.10775(19) 0.5496(2) 0.0137(5) Uani 1 1 d . .
Cl2 Cl 0.2750(2) -0.00869(17) 0.8187(2) 0.0860(7) Uani 1 1 d . .
O6 O 0.4450(2) -0.2938(2) 0.3815(2) 0.0178(6) Uani 1 1 d . .
O2 O 0.4554(2) 0.1691(2) 0.7543(2) 0.0178(6) Uani 1 1 d . .
O3 O 0.5999(2) -0.0612(2) 0.7345(2) 0.0214(6) Uani 1 1 d . .
O4 O 0.4747(2) -0.0003(2) 0.7383(2) 0.0217(6) Uani 1 1 d . .
O5 O 0.5829(2) -0.2155(2) 0.5509(2) 0.0190(6) Uani 1 1 d . .
C18 C 0.9005(4) 0.3001(4) 0.7561(4) 0.0370(12) Uani 1 1 d . .
H18 H 0.9356 0.2980 0.7233 0.044 Uiso 1 1 d R U
O1 O 0.5712(2) 0.2725(2) 0.7777(2) 0.0168(5) Uani 1 1 d . .
C38 C 0.8066(3) -0.1036(3) 0.6609(4) 0.0264(9) Uani 1 1 d . .
H38 H 0.7662 -0.1678 0.6039 0.032 Uiso 1 1 d R U
Cl3 Cl 0.2049(2) 0.1398(3) 0.7955(3) 0.1226(12) Uani 1 1 d . .
C15 C 0.7961(3) 0.3025(3) 0.8521(4) 0.0258(9) Uani 1 1 d . .
H15 H 0.7619 0.3028 0.8853 0.031 Uiso 1 1 d R U
Cl1 Cl 0.4037(3) 0.1890(3) 0.9688(2) 0.1363(14) Uani 1 1 d . .
C17 C 0.9506(4) 0.3505(4) 0.8691(4) 0.0388(12) Uani 1 1 d . .
H17 H 1.0194 0.3828 0.9125 0.047 Uiso 1 1 d R U
C6 C 0.3956(3) 0.3449(3) 0.8449(4) 0.0210(8) Uani 1 1 d . .
H6A H 0.3478 0.2819 0.8060 0.025 Uiso 1 1 d R U
H6B H 0.3895 0.3911 0.9057 0.025 Uiso 1 1 d R U
C7 C 0.5027(3) 0.3368(3) 0.8897(3) 0.0185(8) Uani 1 1 d . .
H7A H 0.5502 0.3975 0.9217 0.022 Uiso 1 1 d R U
H7B H 0.5198 0.3264 0.9469 0.022 Uiso 1 1 d R U
C5 C 0.3450(3) 0.3181(3) 0.6587(3) 0.0209(8) Uani 1 1 d . .
H5 H 0.3419 0.2529 0.6210 0.025 Uiso 1 1 d R U
C58 C 0.3083(6) 0.1019(5) 0.8357(6) 0.0581(17) Uani 1 1 d . .
H58 H 0.3334 0.0909 0.7882 0.070 Uiso 1 1 d R U
C52 C 0.2747(3) -0.0157(3) 0.5551(3) 0.0173(8) Uani 1 1 d . .
C14 C 0.7443(3) 0.2531(3) 0.7389(3) 0.0159(7) Uani 1 1 d . .
C33 C 0.7622(3) -0.0306(3) 0.6904(3) 0.0179(8) Uani 1 1 d . .
C27 C 0.5486(3) -0.0281(3) 0.7761(3) 0.0220(9) Uani 1 1 d . .
C57 C 0.2091(3) 0.0193(3) 0.4997(4) 0.0229(9) Uani 1 1 d . .
H57 H 0.2344 0.0661 0.4944 0.027 Uiso 1 1 d R U
C3 C 0.3419(3) 0.4722(3) 0.7009(4) 0.0212(8) Uani 1 1 d . .
H3 H 0.3355 0.5250 0.6953 0.025 Uiso 1 1 d R U
C10 C 0.1307(4) 0.3121(4) 0.6805(5) 0.0347(11) Uani 1 1 d . .
H10 H 0.1478 0.2925 0.7279 0.042 Uiso 1 1 d R U
C1 C 0.3696(3) 0.3766(3) 0.7690(3) 0.0183(8) Uani 1 1 d . .
C24 C 0.6935(4) 0.2291(5) 1.1163(4) 0.0549(19) Uani 1 1 d . .
H24 H 0.6871 0.2189 1.1636 0.066 Uiso 1 1 d R U
C8 C 0.5111(3) 0.2536(3) 0.8008(3) 0.0155(7) Uani 1 1 d . .
C35 C 0.9283(4) 0.0869(4) 0.8286(4) 0.0334(11) Uani 1 1 d . .
H35 H 0.9691 0.1510 0.8852 0.040 Uiso 1 1 d R U
C2 C 0.3682(3) 0.4722(3) 0.7949(3) 0.0202(8) Uani 1 1 d . .
H2 H 0.3821 0.5255 0.8618 0.024 Uiso 1 1 d R U
C22 C 0.7181(4) 0.3011(3) 1.0401(4) 0.0307(10) Uani 1 1 d . .
H22 H 0.7333 0.3484 1.0301 0.037 Uiso 1 1 d R U
C39 C 0.4052(3) -0.3594(3) 0.5447(4) 0.0217(8) Uani 1 1 d . .
C42 C 0.4156(3) -0.3013(4) 0.7087(4) 0.0285(10) Uani 1 1 d . .
H42 H 0.4241 -0.2966 0.7701 0.034 Uiso 1 1 d R U
C46 C 0.5117(3) -0.2910(3) 0.4634(3) 0.0162(7) Uani 1 1 d . .
C34 C 0.8241(3) 0.0646(3) 0.7748(4) 0.0244(9) Uani 1 1 d . .
H34 H 0.7959 0.1143 0.7955 0.029 Uiso 1 1 d R U
C56 C 0.1058(3) -0.0152(3) 0.4518(4) 0.0268(9) Uani 1 1 d . .
H56 H 0.0622 0.0074 0.4133 0.032 Uiso 1 1 d R U
C54 C 0.1329(4) -0.1180(4) 0.5168(4) 0.0310(10) Uani 1 1 d . .
H54 H 0.1069 -0.1646 0.5219 0.037 Uiso 1 1 d R U
C19 C 0.7979(3) 0.2525(4) 0.6915(4) 0.0275(9) Uani 1 1 d . .
H19 H 0.7646 0.2200 0.6159 0.033 Uiso 1 1 d R U
C45 C 0.5045(3) -0.3853(3) 0.4555(4) 0.0200(8) Uani 1 1 d . .
H45A H 0.5616 -0.3752 0.5209 0.024 Uiso 1 1 d R U
H45B H 0.5069 -0.4341 0.3930 0.024 Uiso 1 1 d R U
C47 C 0.1652(4) -0.4683(4) 0.4103(4) 0.0386(12) Uani 1 1 d . .
H47 H 0.1677 -0.5088 0.3484 0.046 Uiso 1 1 d R U
C13 C 0.0886(3) 0.3113(4) 0.5291(4) 0.0345(11) Uani 1 1 d . .
H13 H 0.0715 0.2913 0.4591 0.041 Uiso 1 1 d R U
C44 C 0.4065(3) -0.4222(3) 0.4432(4) 0.0235(9) Uani 1 1 d . .
H44A H 0.3501 -0.4243 0.3831 0.028 Uiso 1 1 d R U
H44B H 0.3981 -0.4881 0.4250 0.028 Uiso 1 1 d R U
C60 C 0.2941(4) 0.4941(4) 0.1173(4) 0.0362(11) Uani 1 1 d . .
H60 H 0.3185 0.5653 0.1681 0.043 Uiso 1 1 d R U
C55 C 0.0684(3) -0.0837(3) 0.4608(4) 0.0293(10) Uani 1 1 d . .
H55 H -0.0005 -0.1062 0.4298 0.035 Uiso 1 1 d R U
C16 C 0.8983(4) 0.3513(4) 0.9168(4) 0.0351(11) Uani 1 1 d . .
H16 H 0.9313 0.3852 0.9926 0.042 Uiso 1 1 d R U
C50 C 0.1686(3) -0.4075(4) 0.5691(4) 0.0321(11) Uani 1 1 d . .
H50 H 0.1720 -0.4018 0.6291 0.038 Uiso 1 1 d R U
C21 C 0.6927(4) 0.2005(3) 0.9672(4) 0.0296(10) Uani 1 1 d . .
H21 H 0.6849 0.1687 0.8988 0.035 Uiso 1 1 d R U
C53 C 0.2357(3) -0.0847(3) 0.5638(4) 0.0253(9) Uani 1 1 d . .
H53 H 0.2786 -0.1078 0.6019 0.030 Uiso 1 1 d R U
C37 C 0.9104(4) -0.0812(4) 0.7152(4) 0.0344(11) Uani 1 1 d . .
H37 H 0.9391 -0.1308 0.6962 0.041 Uiso 1 1 d R U
C36 C 0.9709(3) 0.0139(4) 0.7983(4) 0.0351(11) Uani 1 1 d . .
H36 H 1.0405 0.0290 0.8332 0.042 Uiso 1 1 d R U
C26 C 0.5802(5) -0.0197(4) 0.8810(4) 0.0350(12) Uani 1 1 d . .
H26A H 0.5336 0.0043 0.9033 0.042 Uiso 1 1 d R U
H26B H 0.5750 -0.0841 0.8670 0.042 Uiso 1 1 d R U
Cl5 Cl 0.21246(13) 0.29417(12) 0.29058(14) 0.0585(4) Uani 1 1 d . .
Cl6 Cl 0.13709(13) 0.10395(14) 0.09208(14) 0.0666(5) Uani 1 1 d . .
Cl4 Cl 0.3204(2) 0.2412(2) 0.1817(3) 0.1125(11) Uani 1 1 d . .
C4 C 0.3271(3) 0.3763(3) 0.6166(4) 0.0221(8) Uani 1 1 d . .
H4 H 0.3085 0.3554 0.5460 0.027 Uiso 1 1 d R U
C12 C 0.0991(3) 0.4042(4) 0.6113(5) 0.0327(11) Uani 1 1 d . .
H12 H 0.0910 0.4565 0.6050 0.039 Uiso 1 1 d R U
C43 C 0.4227(3) -0.3795(3) 0.6238(4) 0.0256(9) Uani 1 1 d . .
H43 H 0.4366 -0.4349 0.6204 0.031 Uiso 1 1 d R U
C40 C 0.3876(3) -0.2668(3) 0.5823(4) 0.0250(9) Uani 1 1 d . .
H40 H 0.3751 -0.2349 0.5473 0.030 Uiso 1 1 d R U
C11 C 0.1250(4) 0.4054(4) 0.7051(4) 0.0328(11) Uani 1 1 d . .
H11 H 0.1350 0.4578 0.7704 0.039 Uiso 1 1 d R U
C23 C 0.7169(4) 0.3191(4) 1.1323(4) 0.0387(13) Uani 1 1 d . .
H23 H 0.7285 0.3794 1.1920 0.046 Uiso 1 1 d R U
C51 C 0.1773(4) -0.4875(4) 0.4881(4) 0.0337(11) Uani 1 1 d . .
H51 H 0.1890 -0.5429 0.4862 0.040 Uiso 1 1 d R U
C41 C 0.3933(4) -0.2312(3) 0.6826(4) 0.0293(10) Uani 1 1 d . .
H41 H 0.3839 -0.1730 0.7237 0.035 Uiso 1 1 d R U
C59 C 0.2449(4) 0.1989(4) 0.2106(5) 0.0418(13) Uani 1 1 d . .
H59 H 0.2837 0.1738 0.2534 0.050 Uiso 1 1 d R U
C49 C 0.1518(4) -0.3387(4) 0.5419(5) 0.0383(12) Uani 1 1 d . .
H49 H 0.1446 -0.2787 0.5823 0.046 Uiso 1 1 d R U
C9 C 0.1084(4) 0.2536(4) 0.5717(5) 0.0382(12) Uani 1 1 d . .
H9 H 0.1063 0.1887 0.5344 0.046 Uiso 1 1 d R U
C48 C 0.1483(4) -0.3768(5) 0.4431(5) 0.0415(13) Uani 1 1 d . .
H48 H 0.1379 -0.3465 0.4066 0.050 Uiso 1 1 d R U
C25 C 0.6793(5) 0.0426(5) 0.9674(5) 0.0525(16) Uani 1 1 d . .
H25A H 0.7249 0.0282 0.9415 0.063 Uiso 1 1 d R U
H25B H 0.7011 0.0319 1.0250 0.063 Uiso 1 1 d R U
C20 C 0.6876(5) 0.1527(5) 1.0146(6) 0.0544(16) Uiso 1 1 d . .
C31 C 0.9558(6) 0.3337(6) 1.2615(7) 0.071(2) Uiso 1 1 d . .
H31 H 0.9704 0.3861 1.3292 0.085 Uiso 1 1 d R U
C32 C 0.9341(7) 0.2462(7) 1.2319(8) 0.079(2) Uiso 1 1 d . .
H32 H 0.9217 0.2215 1.2661 0.095 Uiso 1 1 d R U
C30 C 0.9619(7) 0.3476(7) 1.1847(8) 0.080(2) Uiso 1 1 d . .
H30 H 0.9738 0.4039 1.1872 0.096 Uiso 1 1 d R U
C29 C 0.9448(7) 0.2546(7) 1.1098(8) 0.079(2) Uiso 1 1 d . .
H29 H 0.9502 0.2408 1.0512 0.094 Uiso 1 1 d R U
C28 C 0.9237(7) 0.1855(8) 1.1170(8) 0.085(3) Uiso 1 1 d . .
H28 H 0.9084 0.1193 1.0664 0.102 Uiso 1 1 d R U
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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 1 0.129
0 1 0 0.115
0 0 -1 0.106
-1 0 0 0.050
1 0 0 0.090
-1 0 1 0.180
0 1 -1 0.213
0 -1 0 0.195
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
O9 Sn1 O7 103.50(10) 2_656 .
O9 Sn1 O8 77.80(10) 2_656 .
O7 Sn1 O8 77.90(10) . .
O9 Sn1 C14 104.29(13) 2_656 .
O7 Sn1 C14 101.47(13) . .
O8 Sn1 C14 177.92(13) . .
O9 Sn1 O6 85.17(10) 2_656 2_656
O7 Sn1 O6 162.40(11) . 2_656
O8 Sn1 O6 89.26(10) . 2_656
C14 Sn1 O6 90.93(13) . 2_656
O9 Sn1 O1 158.24(10) 2_656 .
O7 Sn1 O1 88.18(10) . .
O8 Sn1 O1 87.01(10) . .
C14 Sn1 O1 90.99(13) . .
O6 Sn1 O1 79.08(11) 2_656 .
O9 Sn1 Sn3 99.79(7) 2_656 .
O7 Sn1 Sn3 40.11(7) . .
O8 Sn1 Sn3 39.79(7) . .
C14 Sn1 Sn3 139.06(11) . .
O6 Sn1 Sn3 123.95(8) 2_656 .
O1 Sn1 Sn3 77.24(7) . .
O9 Sn1 Sn2 40.17(7) 2_656 2_656
O7 Sn1 Sn2 99.86(7) . 2_656
O8 Sn1 Sn2 39.63(7) . 2_656
C14 Sn1 Sn2 142.38(11) . 2_656
O6 Sn1 Sn2 76.75(7) 2_656 2_656
O1 Sn1 Sn2 120.39(7) . 2_656
Sn3 Sn1 Sn2 73.075(15) . 2_656
O8 Sn2 O7 103.98(10) 2_656 .
O8 Sn2 O9 77.69(10) 2_656 .
O7 Sn2 O9 77.95(10) . .
O8 Sn2 C33 101.60(13) 2_656 .
O7 Sn2 C33 103.02(13) . .
O9 Sn2 C33 178.93(14) . .
O8 Sn2 O3 161.69(11) 2_656 .
O7 Sn2 O3 85.02(11) . .
O9 Sn2 O3 88.90(11) . .
C33 Sn2 O3 91.62(14) . .
O8 Sn2 O5 88.20(11) 2_656 .
O7 Sn2 O5 158.14(11) . .
O9 Sn2 O5 87.23(11) . .
C33 Sn2 O5 91.96(13) . .
O3 Sn2 O5 78.65(11) . .
O8 Sn2 Sn3 100.05(7) 2_656 .
O7 Sn2 Sn3 40.13(7) . .
O9 Sn2 Sn3 39.84(7) . .
C33 Sn2 Sn3 141.22(11) . .
O3 Sn2 Sn3 76.38(8) . .
O5 Sn2 Sn3 120.58(8) . .
O8 Sn2 Sn1 40.05(7) 2_656 2_656
O7 Sn2 Sn1 100.17(7) . 2_656
O9 Sn2 Sn1 39.65(7) . 2_656
C33 Sn2 Sn1 139.45(11) . 2_656
O3 Sn2 Sn1 123.32(8) . 2_656
O5 Sn2 Sn1 77.37(8) . 2_656
Sn3 Sn2 Sn1 73.299(12) . 2_656
O8 Sn3 O9 103.62(10) . .
O8 Sn3 O7 77.86(10) . .
O9 Sn3 O7 78.07(10) . .
O8 Sn3 C52 101.81(13) . .
O9 Sn3 C52 99.93(13) . .
O7 Sn3 C52 177.79(13) . .
O8 Sn3 O2 85.17(10) . .
O9 Sn3 O2 162.74(11) . .
O7 Sn3 O2 89.54(10) . .
C52 Sn3 O2 92.61(13) . .
O8 Sn3 O4 158.25(11) . .
O9 Sn3 O4 88.60(11) . .
O7 Sn3 O4 87.38(11) . .
C52 Sn3 O4 93.54(14) . .
O2 Sn3 O4 78.76(11) . .
O8 Sn3 Sn1 40.11(7) . .
O9 Sn3 Sn1 100.03(7) . .
O7 Sn3 Sn1 39.74(7) . .
C52 Sn3 Sn1 140.47(11) . .
O2 Sn3 Sn1 76.97(8) . .
O4 Sn3 Sn1 120.70(8) . .
O8 Sn3 Sn2 99.96(7) . .
O9 Sn3 Sn2 40.24(7) . .
O7 Sn3 Sn2 39.85(7) . .
C52 Sn3 Sn2 138.45(11) . .
O2 Sn3 Sn2 124.23(8) . .
O4 Sn3 Sn2 77.66(8) . .
Sn1 Sn3 Sn2 73.241(11) . .
C9 Fe1 C4 121.3(2) . .
C9 Fe1 C10 40.9(2) . .
C4 Fe1 C10 157.7(2) . .
C9 Fe1 C13 40.7(2) . .
C4 Fe1 C13 106.83(19) . .
C10 Fe1 C13 68.4(2) . .
C9 Fe1 C5 105.7(2) . .
C4 Fe1 C5 40.80(17) . .
C10 Fe1 C5 121.8(2) . .
C13 Fe1 C5 121.7(2) . .
C9 Fe1 C3 158.3(2) . .
C4 Fe1 C3 40.97(17) . .
C10 Fe1 C3 159.8(2) . .
C13 Fe1 C3 123.1(2) . .
C5 Fe1 C3 68.73(17) . .
C9 Fe1 C2 158.6(2) . .
C4 Fe1 C2 68.69(17) . .
C10 Fe1 C2 123.3(2) . .
C13 Fe1 C2 159.9(2) . .
C5 Fe1 C2 68.49(17) . .
C3 Fe1 C2 40.80(17) . .
C9 Fe1 C1 121.3(2) . .
C4 Fe1 C1 68.97(17) . .
C10 Fe1 C1 106.72(19) . .
C13 Fe1 C1 157.6(2) . .
C5 Fe1 C1 40.84(16) . .
C3 Fe1 C1 69.03(17) . .
C2 Fe1 C1 40.91(16) . .
C9 Fe1 C12 68.0(2) . .
C4 Fe1 C12 123.42(19) . .
C10 Fe1 C12 67.9(2) . .
C13 Fe1 C12 40.2(2) . .
C5 Fe1 C12 158.5(2) . .
C3 Fe1 C12 109.05(19) . .
C2 Fe1 C12 124.76(19) . .
C1 Fe1 C12 160.1(2) . .
C9 Fe1 C11 68.4(2) . .
C4 Fe1 C11 159.9(2) . .
C10 Fe1 C11 40.4(2) . .
C13 Fe1 C11 68.1(2) . .
C5 Fe1 C11 158.5(2) . .
C3 Fe1 C11 124.23(19) . .
C2 Fe1 C11 108.99(19) . .
C1 Fe1 C11 123.21(19) . .
C12 Fe1 C11 40.4(2) . .
C47 Fe3 C41 158.8(2) . .
C47 Fe3 C49 68.5(2) . .
C41 Fe3 C49 106.7(2) . .
C47 Fe3 C40 122.2(2) . .
C41 Fe3 C40 40.99(19) . .
C49 Fe3 C40 120.4(2) . .
C47 Fe3 C48 40.7(2) . .
C41 Fe3 C48 122.3(2) . .
C49 Fe3 C48 40.6(2) . .
C40 Fe3 C48 105.5(2) . .
C47 Fe3 C43 122.1(2) . .
C41 Fe3 C43 68.86(19) . .
C49 Fe3 C43 161.8(2) . .
C40 Fe3 C43 68.58(18) . .
C48 Fe3 C43 156.8(2) . .
C47 Fe3 C51 40.7(2) . .
C41 Fe3 C51 158.6(2) . .
C49 Fe3 C51 68.4(2) . .
C40 Fe3 C51 159.7(2) . .
C48 Fe3 C51 68.3(2) . .
C43 Fe3 C51 109.0(2) . .
C47 Fe3 C42 158.4(2) . .
C41 Fe3 C42 41.1(2) . .
C49 Fe3 C42 124.4(2) . .
C40 Fe3 C42 68.91(19) . .
C48 Fe3 C42 160.0(2) . .
C43 Fe3 C42 40.82(19) . .
C51 Fe3 C42 123.4(2) . .
C47 Fe3 C39 106.1(2) . .
C41 Fe3 C39 69.42(18) . .
C49 Fe3 C39 155.8(2) . .
C40 Fe3 C39 41.15(17) . .
C48 Fe3 C39 120.0(2) . .
C43 Fe3 C39 40.84(17) . .
C51 Fe3 C39 123.8(2) . .
C42 Fe3 C39 69.19(18) . .
C47 Fe3 C50 68.3(2) . .
C41 Fe3 C50 122.4(2) . .
C49 Fe3 C50 40.5(2) . .
C40 Fe3 C50 157.0(2) . .
C48 Fe3 C50 68.1(2) . .
C43 Fe3 C50 125.86(19) . .
C51 Fe3 C50 40.5(2) . .
C42 Fe3 C50 109.15(19) . .
C39 Fe3 C50 161.3(2) . .
C20 Fe2 C24 44.6(3) . .
C20 Fe2 C28 109.3(4) . .
C24 Fe2 C28 136.6(4) . .
C20 Fe2 C23 72.9(3) . .
C24 Fe2 C23 40.9(3) . .
C28 Fe2 C23 173.4(3) . .
C20 Fe2 C22 71.1(3) . .
C24 Fe2 C22 69.1(2) . .
C28 Fe2 C22 145.2(3) . .
C23 Fe2 C22 41.3(2) . .
C20 Fe2 C29 130.5(3) . .
C24 Fe2 C29 172.7(4) . .
C28 Fe2 C29 36.5(4) . .
C23 Fe2 C29 146.3(3) . .
C22 Fe2 C29 115.9(3) . .
C20 Fe2 C32 123.6(4) . .
C24 Fe2 C32 111.8(3) . .
C28 Fe2 C32 46.7(4) . .
C23 Fe2 C32 126.8(3) . .
C22 Fe2 C32 161.1(3) . .
C29 Fe2 C32 65.4(4) . .
C20 Fe2 C31 156.0(3) . .
C24 Fe2 C31 120.6(3) . .
C28 Fe2 C31 67.4(4) . .
C23 Fe2 C31 108.0(3) . .
C22 Fe2 C31 126.0(3) . .
C29 Fe2 C31 61.5(4) . .
C32 Fe2 C31 36.2(3) . .
C20 Fe2 C21 41.1(2) . .
C24 Fe2 C21 69.0(2) . .
C28 Fe2 C21 117.1(3) . .
C23 Fe2 C21 68.8(2) . .
C22 Fe2 C21 40.36(19) . .
C29 Fe2 C21 111.0(3) . .
C32 Fe2 C21 158.5(3) . .
C31 Fe2 C21 162.5(3) . .
C20 Fe2 C30 162.6(3) . .
C24 Fe2 C30 149.6(3) . .
C28 Fe2 C30 66.2(4) . .
C23 Fe2 C30 113.7(3) . .
C22 Fe2 C30 102.7(3) . .
C29 Fe2 C30 36.7(3) . .
C32 Fe2 C30 66.5(4) . .
C31 Fe2 C30 39.8(3) . .
C21 Fe2 C30 124.4(3) . .
Sn1 O7 Sn2 133.15(13) . .
Sn1 O7 Sn3 100.15(11) . .
Sn2 O7 Sn3 100.02(11) . .
Sn1 O9 Sn3 133.63(13) 2_656 .
Sn1 O9 Sn2 100.17(11) 2_656 .
Sn3 O9 Sn2 99.92(11) . .
Sn2 O8 Sn3 133.00(13) 2_656 .
Sn2 O8 Sn1 100.32(11) 2_656 .
Sn3 O8 Sn1 100.11(11) . .
C46 O6 Sn1 130.9(3) . 2_656
C8 O2 Sn3 130.6(3) . .
C27 O3 Sn2 131.0(3) . .
C27 O4 Sn3 128.4(3) . .
C46 O5 Sn2 129.1(3) . .
C19 C18 C17 120.2(5) . .
C19 C18 H18 119.7 . .
C17 C18 H18 120.1 . .
C8 O1 Sn1 129.5(2) . .
C37 C38 C33 120.5(4) . .
C37 C38 H38 119.7 . .
C33 C38 H38 119.8 . .
C16 C15 C14 121.2(4) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.7 . .
C16 C17 C18 119.7(4) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.3 . .
C1 C6 C7 112.5(3) . .
C1 C6 H6A 108.9 . .
C7 C6 H6A 109.0 . .
C1 C6 H6B 109.3 . .
C7 C6 H6B 109.2 . .
H6A C6 H6B 107.8 . .
C8 C7 C6 111.4(3) . .
C8 C7 H7A 109.6 . .
C6 C7 H7A 109.4 . .
C8 C7 H7B 109.1 . .
C6 C7 H7B 109.3 . .
H7A C7 H7B 108.0 . .
C4 C5 C1 108.4(4) . .
C4 C5 Fe1 69.2(2) . .
C1 C5 Fe1 69.7(2) . .
C4 C5 H5 125.8 . .
C1 C5 H5 125.8 . .
Fe1 C5 H5 127.3 . .
Cl3 C58 Cl1 111.8(5) . .
Cl3 C58 Cl2 110.4(4) . .
Cl1 C58 Cl2 110.9(4) . .
Cl3 C58 H58 107.9 . .
Cl1 C58 H58 107.8 . .
Cl2 C58 H58 107.9 . .
C57 C52 C53 119.0(4) . .
C57 C52 Sn3 119.5(3) . .
C53 C52 Sn3 121.5(3) . .
C15 C14 C19 118.4(4) . .
C15 C14 Sn1 120.6(3) . .
C19 C14 Sn1 121.0(3) . .
C34 C33 C38 118.7(4) . .
C34 C33 Sn2 120.9(3) . .
C38 C33 Sn2 120.4(3) . .
O3 C27 O4 125.4(4) . .
O3 C27 C26 116.5(4) . .
O4 C27 C26 118.1(4) . .
C52 C57 C56 120.7(4) . .
C52 C57 H57 119.7 . .
C56 C57 H57 119.6 . .
C2 C3 C4 107.5(4) . .
C2 C3 Fe1 69.7(2) . .
C4 C3 Fe1 69.0(2) . .
C2 C3 H3 126.4 . .
C4 C3 H3 126.1 . .
Fe1 C3 H3 126.6 . .
C11 C10 C9 108.2(5) . .
C11 C10 Fe1 70.5(3) . .
C9 C10 Fe1 69.3(3) . .
C11 C10 H10 126.1 . .
C9 C10 H10 125.7 . .
Fe1 C10 H10 124.6 . .
C5 C1 C2 107.3(4) . .
C5 C1 C6 126.4(4) . .
C2 C1 C6 126.3(4) . .
C5 C1 Fe1 69.4(2) . .
C2 C1 Fe1 69.5(2) . .
C6 C1 Fe1 127.8(3) . .
C23 C24 C20 108.4(5) . .
C23 C24 Fe2 70.4(3) . .
C20 C24 Fe2 65.6(4) . .
C23 C24 H24 126.0 . .
C20 C24 H24 125.5 . .
Fe2 C24 H24 126.6 . .
O1 C8 O2 125.1(4) . .
O1 C8 C7 118.6(3) . .
O2 C8 C7 116.3(3) . .
C36 C35 C34 119.9(4) . .
C36 C35 H35 120.1 . .
C34 C35 H35 120.0 . .
C3 C2 C1 108.5(4) . .
C3 C2 Fe1 69.5(2) . .
C1 C2 Fe1 69.5(2) . .
C3 C2 H2 125.7 . .
C1 C2 H2 125.8 . .
Fe1 C2 H2 126.7 . .
C21 C22 C23 108.5(5) . .
C21 C22 Fe2 70.8(3) . .
C23 C22 Fe2 69.2(3) . .
C21 C22 H22 125.8 . .
C23 C22 H22 125.7 . .
Fe2 C22 H22 125.8 . .
C43 C39 C40 106.8(4) . .
C43 C39 C44 126.5(4) . .
C40 C39 C44 126.7(4) . .
C43 C39 Fe3 69.4(3) . .
C40 C39 Fe3 69.0(2) . .
C44 C39 Fe3 127.3(3) . .
C43 C42 C41 107.6(4) . .
C43 C42 Fe3 69.5(3) . .
C41 C42 Fe3 69.1(3) . .
C43 C42 H42 126.1 . .
C41 C42 H42 126.3 . .
Fe3 C42 H42 126.9 . .
O6 C46 O5 125.1(4) . .
O6 C46 C45 116.7(4) . .
O5 C46 C45 118.2(3) . .
C33 C34 C35 120.7(4) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.4 . .
C55 C56 C57 119.6(4) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.2 . .
C55 C54 C53 120.6(4) . .
C55 C54 H54 119.5 . .
C53 C54 H54 119.9 . .
C18 C19 C14 120.6(4) . .
C18 C19 H19 119.7 . .
C14 C19 H19 119.8 . .
C46 C45 C44 111.0(3) . .
C46 C45 H45A 109.3 . .
C44 C45 H45A 109.6 . .
C46 C45 H45B 109.5 . .
C44 C45 H45B 109.4 . .
H45A C45 H45B 108.1 . .
C48 C47 C51 108.0(5) . .
C48 C47 Fe3 69.9(3) . .
C51 C47 Fe3 70.0(3) . .
C48 C47 H47 126.0 . .
C51 C47 H47 126.0 . .
Fe3 C47 H47 125.7 . .
C12 C13 C9 107.7(5) . .
C12 C13 Fe1 70.0(3) . .
C9 C13 Fe1 69.1(3) . .
C12 C13 H13 126.0 . .
C9 C13 H13 126.2 . .
Fe1 C13 H13 126.4 . .
C39 C44 C45 112.6(4) . .
C39 C44 H44A 109.0 . .
C45 C44 H44A 109.1 . .
C39 C44 H44B 109.1 . .
C45 C44 H44B 109.0 . .
H44A C44 H44B 107.9 . .
Cl8 C60 Cl7 111.7(3) . .
Cl8 C60 Cl9 111.0(3) . .
Cl7 C60 Cl9 110.2(3) . .
Cl8 C60 H60 107.9 . .
Cl7 C60 H60 107.9 . .
Cl9 C60 H60 108.0 . .
C56 C55 C54 120.1(4) . .
C56 C55 H55 119.9 . .
C54 C55 H55 120.0 . .
C17 C16 C15 120.0(4) . .
C17 C16 H16 120.3 . .
C15 C16 H16 119.8 . .
C49 C50 C51 108.2(5) . .
C49 C50 Fe3 69.3(3) . .
C51 C50 Fe3 69.6(3) . .
C49 C50 H50 126.0 . .
C51 C50 H50 125.8 . .
Fe3 C50 H50 127.8 . .
C22 C21 C20 110.2(5) . .
C22 C21 Fe2 68.9(3) . .
C20 C21 Fe2 65.2(3) . .
C22 C21 H21 126.3 . .
C20 C21 H21 123.3 . .
Fe2 C21 H21 129.4 . .
C54 C53 C52 120.0(4) . .
C54 C53 H53 119.9 . .
C52 C53 H53 120.1 . .
C36 C37 C38 120.1(5) . .
C36 C37 H37 120.1 . .
C38 C37 H37 119.7 . .
C37 C36 C35 120.1(4) . .
C37 C36 H36 120.0 . .
C35 C36 H36 119.9 . .
C25 C26 C27 113.5(5) . .
C25 C26 H26A 109.2 . .
C27 C26 H26A 108.6 . .
C25 C26 H26B 108.9 . .
C27 C26 H26B 108.9 . .
H26A C26 H26B 107.6 . .
C5 C4 C3 108.2(4) . .
C5 C4 Fe1 70.0(2) . .
C3 C4 Fe1 70.0(2) . .
C5 C4 H4 125.9 . .
C3 C4 H4 125.9 . .
Fe1 C4 H4 125.4 . .
C13 C12 C11 108.8(5) . .
C13 C12 Fe1 69.8(3) . .
C11 C12 Fe1 70.0(3) . .
C13 C12 H12 125.4 . .
C11 C12 H12 125.8 . .
Fe1 C12 H12 125.8 . .
C42 C43 C39 109.1(4) . .
C42 C43 Fe3 69.7(3) . .
C39 C43 Fe3 69.8(2) . .
C42 C43 H43 125.5 . .
C39 C43 H43 125.4 . .
Fe3 C43 H43 126.7 . .
C41 C40 C39 108.7(4) . .
C41 C40 Fe3 69.5(3) . .
C39 C40 Fe3 69.8(2) . .
C41 C40 H40 125.6 . .
C39 C40 H40 125.6 . .
Fe3 C40 H40 127.0 . .
C10 C11 C12 107.4(5) . .
C10 C11 Fe1 69.1(3) . .
C12 C11 Fe1 69.7(3) . .
C10 C11 H11 126.5 . .
C12 C11 H11 126.1 . .
Fe1 C11 H11 127.5 . .
C24 C23 C22 107.3(5) . .
C24 C23 Fe2 68.7(3) . .
C22 C23 Fe2 69.5(3) . .
C24 C23 H23 125.9 . .
C22 C23 H23 126.7 . .
Fe2 C23 H23 127.7 . .
C47 C51 C50 107.8(5) . .
C47 C51 Fe3 69.3(3) . .
C50 C51 Fe3 69.9(3) . .
C47 C51 H51 126.0 . .
C50 C51 H51 126.2 . .
Fe3 C51 H51 126.3 . .
C40 C41 C42 107.8(4) . .
C40 C41 Fe3 69.5(3) . .
C42 C41 Fe3 69.8(3) . .
C40 C41 H41 126.2 . .
C42 C41 H41 126.0 . .
Fe3 C41 H41 125.9 . .
Cl4 C59 Cl6 111.9(4) . .
Cl4 C59 Cl5 110.7(3) . .
Cl6 C59 Cl5 110.4(3) . .
Cl4 C59 H59 107.7 . .
Cl6 C59 H59 108.0 . .
Cl5 C59 H59 107.9 . .
C50 C49 C48 108.0(5) . .
C50 C49 Fe3 70.2(3) . .
C48 C49 Fe3 69.9(3) . .
C50 C49 H49 125.9 . .
C48 C49 H49 126.1 . .
Fe3 C49 H49 125.3 . .
C13 C9 C10 107.8(5) . .
C13 C9 Fe1 70.3(3) . .
C10 C9 Fe1 69.7(3) . .
C13 C9 H9 125.9 . .
C10 C9 H9 126.3 . .
Fe1 C9 H9 126.1 . .
C49 C48 C47 108.0(5) . .
C49 C48 Fe3 69.5(3) . .
C47 C48 Fe3 69.4(3) . .
C49 C48 H48 126.0 . .
C47 C48 H48 126.0 . .
Fe3 C48 H48 125.9 . .
C26 C25 C20 112.1(5) . .
C26 C25 H25A 110.2 . .
C20 C25 H25A 107.1 . .
C26 C25 H25B 109.3 . .
C20 C25 H25B 110.0 . .
H25A C25 H25B 108.2 . .
C21 C20 C24 104.6(6) . .
C21 C20 C25 125.5(6) . .
C24 C20 C25 129.9(6) . .
C21 C20 Fe2 73.8(4) . .
C24 C20 Fe2 69.8(4) . .
C25 C20 Fe2 120.0(5) . .
C32 C31 C30 115.3(9) . .
C32 C31 Fe2 68.9(6) . .
C30 C31 Fe2 74.2(5) . .
C32 C31 H31 122.8 . .
C30 C31 H31 121.8 . .
Fe2 C31 H31 128.9 . .
C31 C32 C28 104.2(9) . .
C31 C32 Fe2 74.9(6) . .
C28 C32 Fe2 66.6(5) . .
C31 C32 H32 128.7 . .
C28 C32 H32 126.9 . .
Fe2 C32 H32 118.7 . .
C29 C30 C31 98.1(8) . .
C29 C30 Fe2 66.4(6) . .
C31 C30 Fe2 65.9(5) . .
C29 C30 H30 131.2 . .
C31 C30 H30 130.6 . .
Fe2 C30 H30 128.0 . .
C28 C29 C30 122.5(10) . .
C28 C29 Fe2 69.4(6) . .
C30 C29 Fe2 76.9(6) . .
C28 C29 H29 119.3 . .
C30 C29 H29 118.2 . .
Fe2 C29 H29 128.2 . .
C29 C28 C32 99.7(9) . .
C29 C28 Fe2 74.1(6) . .
C32 C28 Fe2 66.7(5) . .
C29 C28 H28 126.7 . .
C32 C28 H28 133.6 . .
Fe2 C28 H28 122.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O9 2.077(3) 2_656
Sn1 O7 2.080(3) .
Sn1 O8 2.095(3) .
Sn1 C14 2.124(4) .
Sn1 O6 2.149(3) 2_656
Sn1 O1 2.165(3) .
Sn1 Sn3 3.2022(5) .
Sn1 Sn2 3.2042(7) 2_656
Sn2 O8 2.078(3) 2_656
Sn2 O7 2.084(3) .
Sn2 O9 2.100(3) .
Sn2 C33 2.121(4) .
Sn2 O3 2.147(3) .
Sn2 O5 2.157(3) .
Sn2 Sn3 3.2023(5) .
Sn2 Sn1 3.2041(7) 2_656
Sn3 O8 2.081(3) .
Sn3 O9 2.083(3) .
Sn3 O7 2.096(3) .
Sn3 C52 2.119(4) .
Sn3 O2 2.150(3) .
Sn3 O4 2.153(3) .
Fe1 C9 2.025(5) .
Fe1 C4 2.030(4) .
Fe1 C10 2.030(5) .
Fe1 C13 2.041(5) .
Fe1 C5 2.040(4) .
Fe1 C3 2.043(4) .
Fe1 C2 2.044(4) .
Fe1 C1 2.044(4) .
Fe1 C12 2.045(5) .
Fe1 C11 2.048(5) .
Fe3 C47 2.029(5) .
Fe3 C41 2.032(5) .
Fe3 C49 2.032(5) .
Fe3 C40 2.033(4) .
Fe3 C48 2.037(5) .
Fe3 C43 2.038(5) .
Fe3 C51 2.039(5) .
Fe3 C42 2.041(5) .
Fe3 C39 2.043(4) .
Fe3 C50 2.044(5) .
Fe2 C20 1.925(7) .
Fe2 C24 1.985(6) .
Fe2 C28 1.994(10) .
Fe2 C23 2.007(5) .
Fe2 C22 2.012(5) .
Fe2 C29 2.048(9) .
Fe2 C32 1.996(9) .
Fe2 C31 2.066(9) .
Fe2 C21 2.037(4) .
Fe2 C30 2.177(10) .
Cl9 C60 1.762(6) .
Cl7 C60 1.737(6) .
Cl8 C60 1.735(6) .
O9 Sn1 2.077(3) 2_656
O8 Sn2 2.077(3) 2_656
Cl2 C58 1.749(7) .
O6 C46 1.260(5) .
O6 Sn1 2.149(3) 2_656
O2 C8 1.267(5) .
O3 C27 1.256(5) .
O4 C27 1.263(5) .
O5 C46 1.267(5) .
C18 C19 1.385(6) .
C18 C17 1.386(7) .
C18 H18 0.9284 .
O1 C8 1.258(5) .
C38 C37 1.386(6) .
C38 C33 1.393(6) .
C38 H38 0.9308 .
Cl3 C58 1.714(8) .
C15 C16 1.383(6) .
C15 C14 1.388(6) .
C15 H15 0.9298 .
Cl1 C58 1.723(8) .
C17 C16 1.378(8) .
C17 H17 0.9297 .
C6 C1 1.498(6) .
C6 C7 1.539(6) .
C6 H6A 0.9698 .
C6 H6B 0.9705 .
C7 C8 1.507(5) .
C7 H7A 0.9702 .
C7 H7B 0.9697 .
C5 C4 1.419(6) .
C5 C1 1.425(6) .
C5 H5 0.9303 .
C58 H58 0.9793 .
C52 C57 1.390(6) .
C52 C53 1.394(6) .
C14 C19 1.390(6) .
C33 C34 1.387(6) .
C27 C26 1.511(6) .
C57 C56 1.392(6) .
C57 H57 0.9294 .
C3 C2 1.425(6) .
C3 C4 1.425(6) .
C3 H3 0.9299 .
C10 C11 1.410(7) .
C10 C9 1.418(8) .
C10 H10 0.9304 .
C1 C2 1.429(6) .
C24 C23 1.396(9) .
C24 C20 1.484(10) .
C24 H24 0.9298 .
C35 C36 1.379(7) .
C35 C34 1.391(6) .
C35 H35 0.9302 .
C2 H2 0.9298 .
C22 C21 1.397(7) .
C22 C23 1.418(7) .
C22 H22 0.9301 .
C39 C43 1.424(6) .
C39 C40 1.432(6) .
C39 C44 1.493(6) .
C42 C43 1.423(7) .
C42 C41 1.430(7) .
C42 H42 0.9300 .
C46 C45 1.506(5) .
C34 H34 0.9299 .
C56 C55 1.379(7) .
C56 H56 0.9309 .
C54 C55 1.380(7) .
C54 C53 1.385(6) .
C54 H54 0.9293 .
C19 H19 0.9295 .
C45 C44 1.533(6) .
C45 H45A 0.9694 .
C45 H45B 0.9696 .
C47 C48 1.414(8) .
C47 C51 1.415(7) .
C47 H47 0.9302 .
C13 C12 1.404(8) .
C13 C9 1.414(8) .
C13 H13 0.9312 .
C44 H44A 0.9704 .
C44 H44B 0.9691 .
C60 H60 0.9794 .
C55 H55 0.9304 .
C16 H16 0.9304 .
C50 C49 1.412(7) .
C50 C51 1.413(8) .
C50 H50 0.9312 .
C21 C20 1.394(8) .
C21 H21 0.9294 .
C53 H53 0.9289 .
C37 C36 1.378(8) .
C37 H37 0.9301 .
C36 H36 0.9296 .
C26 C25 1.412(9) .
C26 H26A 0.9714 .
C26 H26B 0.9693 .
Cl5 C59 1.758(6) .
Cl6 C59 1.741(6) .
Cl4 C59 1.726(6) .
C4 H4 0.9301 .
C12 C11 1.412(7) .
C12 H12 0.9300 .
C43 H43 0.9297 .
C40 C41 1.423(7) .
C40 H40 0.9301 .
C11 H11 0.9296 .
C23 H23 0.9300 .
C51 H51 0.9296 .
C41 H41 0.9298 .
C59 H59 0.9793 .
C49 C48 1.412(8) .
C49 H49 0.9306 .
C9 H9 0.9301 .
C48 H48 0.9305 .
C25 C20 1.566(9) .
C25 H25A 0.9709 .
C25 H25B 0.9695 .
C31 C32 1.264(12) .
C31 C30 1.449(12) .
C31 H31 0.9295 .
C32 C28 1.580(13) .
C32 H32 0.9292 .
C30 C29 1.335(12) .
C30 H30 0.9287 .
C29 C28 1.268(12) .
C29 H29 0.9306 .
C28 H28 0.9298 .
