#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:52:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178538 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/44/4064460.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_4064460
loop_
_publ_author_name
'Dostálová, Romana'
'Dostál, Libor'
'R°užička, Aleš'
'Jambor, Roman'
_publ_section_title
;
 Chromiumpentacarbonyl-Coordinated Organotin(II) Cation
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2405
_journal_paper_doi               10.1021/om200122m
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C24 H41 B11 Cr O9 Sn'
_chemical_formula_sum            'C24 H41 B11 Cr O9 Sn'
_chemical_formula_weight         763.17
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 134.141(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.0401(9)
_cell_length_b                   11.8300(7)
_cell_length_c                   24.8469(8)
_cell_measurement_reflns_used    26509
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     7391.3(9)
_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, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26509
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.456
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         8593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0907
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0446P)²+187.4199P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2041
_refine_ls_wR_factor_ref         0.2138
_reflns_number_gt                6566
_reflns_number_total             8593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200122m_si_001.cif
_cod_data_source_block           compound3
_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_cell_volume        7391.1
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4064460
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.47129(3) 0.5000 0.17545(4) 0.0320(2) Uani 1 2 d S
Sn2 Sn 0.18961(3) 0.5000 0.22384(4) 0.02837(19) Uani 1 2 d S
Cr1 Cr 0.44217(7) 0.5000 0.04755(10) 0.0315(4) Uani 1 2 d S
Cr2 Cr 0.09197(7) 0.5000 0.15724(10) 0.0314(4) Uani 1 2 d S
O11 O 0.2293(3) 0.5000 0.3522(4) 0.0398(19) Uani 1 2 d S
O7 O 0.2143(2) 0.3071(4) 0.2387(3) 0.0347(12) Uani 1 1 d .
O1 O 0.4794(2) 0.3070(4) 0.2094(3) 0.0401(13) Uani 1 1 d .
O12 O 0.1723(3) 0.5000 0.1106(4) 0.0390(19) Uani 1 2 d S
C107 C 0.0770(3) 0.6125(7) 0.0902(5) 0.0382(18) Uani 1 1 d .
C7 C 0.3906(4) 0.6102(7) 0.0138(5) 0.043(2) Uani 1 1 d .
C101 C 0.2687(5) 0.5000 0.2743(6) 0.038(3) Uani 1 2 d S
C8 C 0.4930(4) 0.3866(7) 0.0810(5) 0.044(2) Uani 1 1 d .
C1 C 0.4959(4) 0.5000 0.2805(6) 0.035(3) Uani 1 2 d S
O4 O 0.4043(4) 0.5000 -0.1047(5) 0.059(3) Uani 1 2 d S
C108 C 0.1095(4) 0.3891(8) 0.2264(5) 0.047(2) Uani 1 1 d .
O5 O 0.5656(4) 0.5000 0.2533(5) 0.058(3) Uani 1 2 d S
C9 C 0.4186(5) 0.5000 -0.0449(8) 0.042(3) Uani 1 2 d S
O9 O 0.1181(3) 0.3244(6) 0.2668(4) 0.068(2) Uani 1 1 d .
B21 B 0.3601(5) 0.1209(10) 0.2146(8) 0.057(3) Uani 1 1 d .
H21 H 0.3831 0.1995 0.2332 0.069 Uiso 1 1 d R
C105 C 0.2672(3) 0.2876(7) 0.2716(5) 0.0411(19) Uani 1 1 d .
105A H 0.2656 0.2448 0.2368 0.049 Uiso 1 1 d R
105B H 0.2872 0.2439 0.3174 0.049 Uiso 1 1 d R
C102 C 0.2946(3) 0.3983(8) 0.2879(5) 0.043(2) Uani 1 1 d .
B19 B 0.3757(8) 0.0000 0.1922(14) 0.073(6) Uani 1 2 d S
H19 H 0.4077 0.0000 0.1935 0.088 Uiso 1 2 d SR
C112 C 0.1799(5) 0.5941(11) 0.0858(7) 0.078(3) Uiso 1 1 d .
112A H 0.2169 0.6167 0.1241 0.093 Uiso 1 1 d R
112B H 0.1581 0.6567 0.0767 0.093 Uiso 1 1 d R
B18 B 0.3153(7) 0.0762(11) 0.1218(10) 0.084(5) Uani 1 1 d .
H18 H 0.3072 0.1239 0.0768 0.101 Uiso 1 1 d R
C5 C 0.4957(4) 0.2865(8) 0.2791(5) 0.050(2) Uani 1 1 d .
H5A H 0.5285 0.2434 0.3110 0.060 Uiso 1 1 d R
H5B H 0.4691 0.2432 0.2724 0.060 Uiso 1 1 d R
B27 B 0.3744(10) 0.0000 0.4711(11) 0.071(6) Uani 1 2 d S
H27 H 0.3869 0.0000 0.4410 0.085 Uiso 1 2 d SR
C113 C 0.1653(6) 0.5622(9) 0.0158(6) 0.074(4) Uani 1 1 d .
113A H 0.1913 0.5915 0.0161 0.089 Uiso 1 1 d R
113B H 0.1305 0.5915 -0.0278 0.089 Uiso 1 1 d R
B16 B 0.3371(4) 0.0730(9) 0.2547(6) 0.049(3) Uani 1 1 d .
H16 H 0.3444 0.1202 0.2992 0.059 Uiso 1 1 d R
B15 B 0.2779(6) 0.0000 0.1872(8) 0.041(3) Uani 1 2 d S
H15 H 0.2465 0.0000 0.1873 0.049 Uiso 1 2 d SR
O3 O 0.5230(3) 0.3182(6) 0.0998(5) 0.070(2) Uani 1 1 d .
C109 C 0.0200(6) 0.5000 0.1105(8) 0.047(3) Uani 1 2 d S
C22 C 0.4088(7) 0.0000 0.6101(10) 0.066(4) Uani 1 2 d S
H22 H 0.4416 0.0000 0.6716 0.080 Uiso 1 2 d SR
B29 B 0.3496(7) 0.1208(11) 0.4760(7) 0.094(6) Uani 1 1 d .
H29 H 0.3413 0.2011 0.4471 0.113 Uiso 1 1 d R
C6 C 0.4712(4) 0.2035(7) 0.1728(5) 0.050(2) Uani 1 1 d .
H6A H 0.5040 0.1621 0.2041 0.060 Uiso 1 1 d R
H6B H 0.4599 0.2195 0.1256 0.060 Uiso 1 1 d R
H6C H 0.4445 0.1593 0.1645 0.060 Uiso 1 1 d R
B28 B 0.3114(10) 0.0000 0.4256(10) 0.110(11) Uani 1 2 d S
H28 H 0.2816 0.0000 0.3639 0.132 Uiso 1 2 d SR
B26 B 0.4125(5) 0.0723(9) 0.5551(6) 0.055(3) Uani 1 1 d .
H26 H 0.4485 0.1190 0.5789 0.066 Uiso 1 1 d R
B17 B 0.2916(5) 0.1219(9) 0.1613(6) 0.048(3) Uani 1 1 d .
H17 H 0.2688 0.2007 0.1435 0.058 Uiso 1 1 d R
B25 B 0.3698(5) 0.1210(10) 0.5629(7) 0.057(3) Uani 1 1 d .
H25 H 0.3766 0.2006 0.5914 0.069 Uiso 1 1 d R
C103 C 0.3438(4) 0.3984(9) 0.3135(7) 0.073(4) Uani 1 1 d .
H103 H 0.3602 0.3309 0.3199 0.088 Uiso 1 1 d R
B20 B 0.3864(7) 0.0000 0.2700(11) 0.055(4) Uani 1 2 d S
H20 H 0.4276 0.0000 0.3254 0.067 Uiso 1 2 d SR
C110 C 0.2542(5) 0.4005(8) 0.3990(5) 0.061(3) Uani 1 1 d .
110A H 0.2351 0.3729 0.4115 0.073 Uiso 1 1 d R
110B H 0.2554 0.3407 0.3734 0.073 Uiso 1 1 d R
O6 O 0.3809(3) 0.5000 0.1236(6) 0.048(2) Uani 1 2 d S
O8 O 0.0675(3) 0.6779(6) 0.0494(4) 0.0575(17) Uani 1 1 d .
O2 O 0.3584(3) 0.6743(6) -0.0082(4) 0.0626(19) Uani 1 1 d .
O10 O -0.0220(4) 0.5000 0.0838(6) 0.060(3) Uani 1 2 d S
C106 C 0.1865(4) 0.2039(7) 0.2185(6) 0.052(2) Uani 1 1 d .
H101A H 0.1879 0.1610 0.1871 0.079 Uiso 1 1 calc R
H101B H 0.1501 0.2194 0.1917 0.079 Uiso 1 1 calc R
H101C H 0.2027 0.1614 0.2629 0.079 Uiso 1 1 calc R
C14 C 0.2636(8) 0.0000 0.1028(9) 0.073(5) Uani 1 2 d S
H14 H 0.2233 0.0000 0.0461 0.087 Uiso 1 2 d SR
C2 C 0.5057(4) 0.3979(8) 0.3165(5) 0.050(2) Uani 1 1 d .
C12 C 0.3583(5) 0.5974(9) 0.1266(9) 0.078(4) Uani 1 1 d .
H12A H 0.3481 0.6530 0.0898 0.094 Uiso 1 1 d R
H12B H 0.3851 0.6314 0.1759 0.094 Uiso 1 1 d R
C3 C 0.5274(7) 0.3975(11) 0.3895(8) 0.099(5) Uani 1 1 d .
H3 H 0.5309 0.3303 0.4120 0.119 Uiso 1 1 d R
C104 C 0.3695(6) 0.5000 0.3291(12) 0.087(6) Uani 1 2 d S
H104 H 0.4047 0.5000 0.3523 0.104 Uiso 1 2 d SR
C4 C 0.5424(8) 0.5000 0.4275(12) 0.089(6) Uiso 1 2 d S
H4 H 0.5646 0.5000 0.4792 0.107 Uiso 1 2 d SR
C13 C 0.3160(6) 0.5634(12) 0.1213(9) 0.097(4) Uiso 1 1 d .
H13A H 0.2836 0.5927 0.0735 0.116 Uiso 1 1 d R
H13B H 0.3193 0.5927 0.1608 0.116 Uiso 1 1 d R
B23 B 0.3425(8) 0.0000 0.5661(14) 0.078(6) Uani 1 2 d S
H23 H 0.3313 0.0000 0.5979 0.093 Uiso 1 2 d SR
C11 C 0.6532(6) 0.4383(12) 0.3329(8) 0.094(4) Uiso 1 1 d .
H11A H 0.6831 0.4080 0.3823 0.113 Uiso 1 1 d R
H11B H 0.6537 0.4080 0.2971 0.113 Uiso 1 1 d R
B24 B 0.3058(6) 0.0746(14) 0.4840(10) 0.114(8) Uani 1 1 d .
H24 H 0.2703 0.1228 0.4609 0.137 Uiso 1 1 d R
C111 C 0.3053(7) 0.4396(15) 0.4678(11) 0.134(7) Uiso 1 1 d .
111A H 0.3309 0.4108 0.4671 0.161 Uiso 1 1 d R
111B H 0.3143 0.4108 0.5120 0.161 Uiso 1 1 d R
C10 C 0.6004(8) 0.411(2) 0.3096(12) 0.158(8) Uiso 1 1 d .
H10A H 0.5874 0.3353 0.2888 0.189 Uiso 1 1 d R
H10B H 0.6033 0.4199 0.3511 0.189 Uiso 1 1 d 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'
Cr Cr 0.3209 0.6236 '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'
B B 0.0013 0.0007 '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
1 0 0 0.039
-1 0 1 0.051
0 0 -1 0.069
0 -1 0 0.127
0 1 0 0.129
2 0 -1 0.047
-2 0 1 0.039
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
C1 Sn1 O1 73.52(14) . 6_565
C1 Sn1 O1 73.52(14) . .
O1 Sn1 O1 147.0(3) 6_565 .
C1 Sn1 O5 81.7(4) . .
O1 Sn1 O5 87.51(16) 6_565 .
O1 Sn1 O5 87.51(16) . .
C1 Sn1 O6 85.2(4) . .
O1 Sn1 O6 88.77(16) 6_565 .
O1 Sn1 O6 88.77(16) . .
O5 Sn1 O6 166.9(3) . .
C1 Sn1 Cr1 179.4(3) . .
O1 Sn1 Cr1 106.48(14) 6_565 .
O1 Sn1 Cr1 106.48(14) . .
O5 Sn1 Cr1 97.7(2) . .
O6 Sn1 Cr1 95.4(2) . .
C101 Sn2 O7 73.82(13) . 6_565
C101 Sn2 O7 73.82(13) . .
O7 Sn2 O7 147.6(3) 6_565 .
C101 Sn2 O12 81.5(4) . .
O7 Sn2 O12 87.13(14) 6_565 .
O7 Sn2 O12 87.13(14) . .
C101 Sn2 O11 84.6(4) . .
O7 Sn2 O11 89.02(14) 6_565 .
O7 Sn2 O11 89.02(14) . .
O12 Sn2 O11 166.1(3) . .
C101 Sn2 Cr2 177.7(3) . .
O7 Sn2 Cr2 106.15(13) 6_565 .
O7 Sn2 Cr2 106.15(13) . .
O12 Sn2 Cr2 96.2(2) . .
O11 Sn2 Cr2 97.7(2) . .
C9 Cr1 C7 89.2(4) . 6_565
C9 Cr1 C7 89.2(4) . .
C7 Cr1 C7 87.4(5) 6_565 .
C9 Cr1 C8 90.9(4) . 6_565
C7 Cr1 C8 178.8(4) 6_565 6_565
C7 Cr1 C8 91.3(4) . 6_565
C9 Cr1 C8 90.9(4) . .
C7 Cr1 C8 91.3(4) 6_565 .
C7 Cr1 C8 178.8(4) . .
C8 Cr1 C8 89.9(5) 6_565 .
C9 Cr1 Sn1 177.5(4) . .
C7 Cr1 Sn1 89.0(3) 6_565 .
C7 Cr1 Sn1 89.0(3) . .
C8 Cr1 Sn1 90.9(3) 6_565 .
C8 Cr1 Sn1 90.9(3) . .
C108 Cr2 C108 87.8(5) 6_565 .
C108 Cr2 C107 177.9(4) 6_565 6_565
C108 Cr2 C107 91.6(4) . 6_565
C108 Cr2 C107 91.6(4) 6_565 .
C108 Cr2 C107 177.9(4) . .
C107 Cr2 C107 89.0(5) 6_565 .
C108 Cr2 C109 90.5(4) 6_565 .
C108 Cr2 C109 90.5(4) . .
C107 Cr2 C109 91.5(4) 6_565 .
C107 Cr2 C109 91.5(4) . .
C108 Cr2 Sn2 88.3(3) 6_565 .
C108 Cr2 Sn2 88.3(3) . .
C107 Cr2 Sn2 89.7(3) 6_565 .
C107 Cr2 Sn2 89.7(3) . .
C109 Cr2 Sn2 178.3(4) . .
C110 O11 C110 109.2(9) 6_565 .
C110 O11 Sn2 121.8(5) 6_565 .
C110 O11 Sn2 121.8(5) . .
C106 O7 C105 111.1(6) . .
C106 O7 Sn2 133.4(5) . .
C105 O7 Sn2 115.5(4) . .
C5 O1 C6 111.2(6) . .
C5 O1 Sn1 116.4(5) . .
C6 O1 Sn1 132.5(5) . .
C112 O12 C112 107.0(12) . 6_565
C112 O12 Sn2 123.0(6) . .
C112 O12 Sn2 123.0(6) 6_565 .
O8 C107 Cr2 178.7(10) . .
O2 C7 Cr1 177.9(9) . .
C102 C101 C102 118.6(12) 6_565 .
C102 C101 Sn2 120.5(6) 6_565 .
C102 C101 Sn2 120.5(6) . .
O3 C8 Cr1 178.9(9) . .
C2 C1 C2 119.8(11) 6_565 .
C2 C1 Sn1 120.1(6) 6_565 .
C2 C1 Sn1 120.1(6) . .
O9 C108 Cr2 177.2(9) . .
C10 O5 C10 91.3(19) 6_565 .
C10 O5 Sn1 121.9(10) 6_565 .
C10 O5 Sn1 121.9(10) . .
O4 C9 Cr1 178.4(11) . .
B18 B21 B20 106.9(10) . .
B18 B21 B19 61.6(10) . .
B20 B21 B19 58.0(10) . .
B18 B21 B16 107.9(9) . .
B20 B21 B16 59.0(7) . .
B19 B21 B16 106.5(9) . .
B18 B21 B17 60.3(7) . .
B20 B21 B17 107.1(9) . .
B19 B21 B17 109.3(10) . .
B16 B21 B17 60.2(6) . .
B18 B21 H21 122.4 . .
B20 B21 H21 122.3 . .
B19 B21 H21 121.7 . .
B16 B21 H21 121.7 . .
B17 B21 H21 121.8 . .
O7 C105 C102 110.2(6) . .
O7 C105 105A 109.1 . .
C102 C105 105A 108.8 . .
O7 C105 105B 110.4 . .
C102 C105 105B 110.1 . .
105A C105 105B 108.2 . .
C103 C102 C101 120.6(9) . .
C103 C102 C105 119.5(8) . .
C101 C102 C105 119.9(8) . .
B20 B19 B21 60.6(8) . 6
B20 B19 B21 60.6(8) . .
B21 B19 B21 109.4(13) 6 .
B20 B19 B18 106.7(10) . 6
B21 B19 B18 58.8(7) 6 6
B21 B19 B18 107.7(11) . 6
B20 B19 B18 106.7(10) . .
B21 B19 B18 107.7(11) 6 .
B21 B19 B18 58.8(7) . .
B18 B19 B18 60.6(12) 6 .
B20 B19 H19 123.8 . .
B21 B19 H19 121.8 6 .
B21 B19 H19 121.8 . .
B18 B19 H19 121.1 6 .
B18 B19 H19 121.1 . .
O12 C112 C113 107.5(10) . .
O12 C112 112A 108.9 . .
C113 C112 112A 110.8 . .
O12 C112 112B 110.6 . .
C113 C112 112B 110.4 . .
112A C112 112B 108.5 . .
B21 B18 B17 60.5(7) . .
B21 B18 C14 108.7(9) . .
B17 B18 C14 60.6(6) . .
B21 B18 B19 59.6(9) . .
B17 B18 B19 107.9(11) . .
C14 B18 B19 107.4(9) . .
B21 B18 B18 107.7(6) . 6
B17 B18 B18 107.9(5) . 6
C14 B18 B18 59.4(6) . 6
B19 B18 B18 59.7(6) . 6
B21 B18 H18 123.2 . .
B17 B18 H18 121.6 . .
C14 B18 H18 120.0 . .
B19 B18 H18 123.1 . .
B18 B18 H18 120.9 6 .
O1 C5 C2 109.0(7) . .
O1 C5 H5A 109.0 . .
C2 C5 H5A 108.7 . .
O1 C5 H5B 111.1 . .
C2 C5 H5B 110.6 . .
H5A C5 H5B 108.3 . .
B28 B27 B29 62.9(10) . 6
B28 B27 B29 62.9(10) . .
B29 B27 B29 112.4(18) 6 .
B28 B27 B26 111.8(13) . .
B29 B27 B26 109.2(10) 6 .
B29 B27 B26 60.4(7) . .
B28 B27 B26 111.8(13) . 6
B29 B27 B26 60.4(7) 6 6
B29 B27 B26 109.2(10) . 6
B26 B27 B26 59.3(9) . 6
B28 B27 H27 121.1 . .
B29 B27 H27 120.6 6 .
B29 B27 H27 120.6 . .
B26 B27 H27 118.8 . .
B26 B27 H27 118.8 6 .
C113 C113 C112 104.8(7) 6_565 .
C113 C113 113A 110.9 6_565 .
C112 C113 113A 110.2 . .
C113 C113 113B 111.0 6_565 .
C112 C113 113B 111.0 . .
113A C113 113B 108.9 . .
B20 B16 B16 59.9(4) . 6
B20 B16 B15 107.7(8) . .
B16 B16 B15 60.2(4) 6 .
B20 B16 B21 60.0(7) . .
B16 B16 B21 108.8(5) 6 .
B15 B16 B21 108.9(9) . .
B20 B16 B17 107.7(10) . .
B16 B16 B17 109.1(5) 6 .
B15 B16 B17 61.0(6) . .
B21 B16 B17 60.0(7) . .
B20 B16 H16 122.7 . .
B16 B16 H16 120.5 6 .
B15 B16 H16 120.4 . .
B21 B16 H16 122.1 . .
B17 B16 H16 121.4 . .
B16 B15 B16 59.6(9) . 6
B16 B15 B17 108.0(9) . 6
B16 B15 B17 60.2(6) 6 6
B16 B15 B17 60.2(6) . .
B16 B15 B17 108.0(9) 6 .
B17 B15 B17 108.5(10) 6 .
B16 B15 C14 107.6(10) . .
B16 B15 C14 107.6(10) 6 .
B17 B15 C14 60.0(6) 6 .
B17 B15 C14 60.0(6) . .
B16 B15 H15 121.5 . .
B16 B15 H15 121.5 6 .
B17 B15 H15 121.6 6 .
B17 B15 H15 121.6 . .
C14 B15 H15 122.7 . .
O10 C109 Cr2 179.4(13) . .
B26 C22 B26 60.7(9) . 6
B26 C22 B23 108.0(12) . .
B26 C22 B23 108.0(12) 6 .
B26 C22 B25 109.6(10) . 6
B26 C22 B25 60.5(7) 6 6
B23 C22 B25 60.2(7) . 6
B26 C22 B25 60.5(7) . .
B26 C22 B25 109.6(10) 6 .
B23 C22 B25 60.2(7) . .
B25 C22 B25 109.8(13) 6 .
B26 C22 H22 122.0 . .
B26 C22 H22 122.0 6 .
B23 C22 H22 121.1 . .
B25 C22 H22 120.3 6 .
B25 C22 H22 120.3 . .
B27 B29 B26 60.0(10) . .
B27 B29 B25 107.4(10) . .
B26 B29 B25 59.9(7) . .
B27 B29 B28 56.1(12) . .
B26 B29 B28 105.9(10) . .
B25 B29 B28 109.6(14) . .
B27 B29 B24 105.7(12) . .
B26 B29 B24 106.7(10) . .
B25 B29 B24 59.7(9) . .
B28 B29 B24 62.4(14) . .
B27 B29 H29 126.0 . .
B26 B29 H29 125.0 . .
B25 B29 H29 120.2 . .
B28 B29 H29 121.0 . .
B24 B29 H29 119.0 . .
O1 C6 H6A 108.9 . .
O1 C6 H6B 109.7 . .
H6A C6 H6B 109.5 . .
O1 C6 H6C 109.8 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
B27 B28 B29 60.9(10) . .
B27 B28 B29 60.9(10) . 6
B29 B28 B29 109.3(14) . 6
B27 B28 B24 106.9(10) . .
B29 B28 B24 59.1(10) . .
B29 B28 B24 106.2(14) 6 .
B27 B28 B24 106.9(10) . 6
B29 B28 B24 106.2(14) . 6
B29 B28 B24 59.2(10) 6 6
B24 B28 B24 58.0(16) . 6
B27 B28 H28 118.6 . .
B29 B28 H28 120.5 . .
B29 B28 H28 120.5 6 .
B24 B28 H28 125.8 . .
B24 B28 H28 125.8 6 .
C22 B26 B26 59.6(5) . 6
C22 B26 B27 107.2(9) . .
B26 B26 B27 60.3(5) 6 .
C22 B26 B25 61.4(7) . .
B26 B26 B25 109.4(6) 6 .
B27 B26 B25 107.4(11) . .
C22 B26 B29 109.4(12) . .
B26 B26 B29 109.3(6) 6 .
B27 B26 B29 59.5(9) . .
B25 B26 B29 60.2(9) . .
C22 B26 H26 121.6 . .
B26 B26 H26 120.2 6 .
B27 B26 H26 122.0 . .
B25 B26 H26 121.9 . .
B29 B26 H26 121.3 . .
B18 B17 B21 59.2(8) . .
B18 B17 B16 106.7(9) . .
B21 B17 B16 59.8(7) . .
B18 B17 B15 107.8(8) . .
B21 B17 B15 107.1(8) . .
B16 B17 B15 58.8(7) . .
B18 B17 C14 60.0(8) . .
B21 B17 C14 107.2(9) . .
B16 B17 C14 106.7(8) . .
B15 B17 C14 60.3(7) . .
B18 B17 H17 121.9 . .
B21 B17 H17 122.4 . .
B16 B17 H17 123.1 . .
B15 B17 H17 122.1 . .
C14 B17 H17 121.8 . .
B26 B25 B29 59.9(9) . .
B26 B25 B24 107.6(11) . .
B29 B25 B24 60.8(11) . .
B26 B25 C22 58.1(7) . .
B29 B25 C22 106.4(10) . .
B24 B25 C22 106.8(10) . .
B26 B25 B23 105.9(9) . .
B29 B25 B23 107.0(12) . .
B24 B25 B23 58.7(11) . .
C22 B25 B23 59.9(9) . .
B26 B25 H25 122.7 . .
B29 B25 H25 121.2 . .
B24 B25 H25 121.7 . .
C22 B25 H25 123.4 . .
B23 B25 H25 123.3 . .
C102 C103 C104 119.8(11) . .
C102 C103 H103 120.5 . .
C104 C103 H103 119.6 . .
B19 B20 B16 111.0(12) . 6
B19 B20 B16 111.0(12) . .
B16 B20 B16 60.3(9) 6 .
B19 B20 B21 61.4(7) . 6
B16 B20 B21 61.0(6) 6 6
B16 B20 B21 110.0(10) . 6
B19 B20 B21 61.4(7) . .
B16 B20 B21 110.0(10) 6 .
B16 B20 B21 61.0(6) . .
B21 B20 B21 110.7(14) 6 .
B19 B20 H20 119.0 . .
B16 B20 H20 121.0 6 .
B16 B20 H20 121.0 . .
B21 B20 H20 120.1 6 .
B21 B20 H20 120.1 . .
C111 C110 O11 104.4(11) . .
C111 C110 110A 107.0 . .
O11 C110 110A 111.5 . .
C111 C110 110B 115.2 . .
O11 C110 110B 110.2 . .
110A C110 110B 108.5 . .
C12 O6 C12 107.5(10) 6_565 .
C12 O6 Sn1 122.1(5) 6_565 .
C12 O6 Sn1 122.1(5) . .
O7 C106 H101A 109.5 . .
O7 C106 H101B 109.5 . .
H101A C106 H101B 109.5 . .
O7 C106 H101C 109.5 . .
H101A C106 H101C 109.5 . .
H101B C106 H101C 109.5 . .
B18 C14 B18 61.3(11) . 6
B18 C14 B17 59.4(7) . .
B18 C14 B17 108.4(13) 6 .
B18 C14 B17 108.4(13) . 6
B18 C14 B17 59.4(7) 6 6
B17 C14 B17 108.3(11) . 6
B18 C14 B15 106.9(11) . .
B18 C14 B15 106.9(11) 6 .
B17 C14 B15 59.8(5) . .
B17 C14 B15 59.8(5) 6 .
B18 C14 H14 120.4 . .
B18 C14 H14 120.4 6 .
B17 C14 H14 122.1 . .
B17 C14 H14 122.1 6 .
B15 C14 H14 124.2 . .
C3 C2 C1 120.3(10) . .
C3 C2 C5 118.7(9) . .
C1 C2 C5 120.9(8) . .
O6 C12 C13 109.8(10) . .
O6 C12 H12A 110.5 . .
C13 C12 H12A 114.8 . .
O6 C12 H12B 108.4 . .
C13 C12 H12B 105.1 . .
H12A C12 H12B 107.9 . .
C2 C3 C4 119.0(13) . .
C2 C3 H3 120.7 . .
C4 C3 H3 120.4 . .
C103 C104 C103 120.3(14) . 6_565
C103 C104 H104 119.8 . .
C103 C104 H104 119.8 6_565 .
C3 C4 C3 120.7(19) . 6_565
C3 C4 H4 119.6 . .
C3 C4 H4 119.6 6_565 .
C12 C13 C13 106.1(7) . 6_565
C12 C13 H13A 105.2 . .
C13 C13 H13A 111.0 6_565 .
C12 C13 H13B 114.5 . .
C13 C13 H13B 111.0 6_565 .
H13A C13 H13B 109.0 . .
B24 B23 B24 62.0(15) 6 .
B24 B23 C22 108.1(14) 6 .
B24 B23 C22 108.1(14) . .
B24 B23 B25 110.2(16) 6 .
B24 B23 B25 60.4(9) . .
C22 B23 B25 59.9(7) . .
B24 B23 B25 60.4(9) 6 6
B24 B23 B25 110.2(16) . 6
C22 B23 B25 59.9(7) . 6
B25 B23 B25 109.4(14) . 6
B24 B23 H23 120.6 6 .
B24 B23 H23 120.6 . .
C22 B23 H23 122.3 . .
B25 B23 H23 120.8 . .
B25 B23 H23 120.8 6 .
C11 C11 C10 102.3(10) 6_565 .
C11 C11 H11A 111.7 6_565 .
C10 C11 H11A 110.5 . .
C11 C11 H11B 111.7 6_565 .
C10 C11 H11B 111.2 . .
H11A C11 H11B 109.4 . .
B23 B24 B25 60.9(8) . .
B23 B24 B29 107.7(12) . .
B25 B24 B29 59.5(9) . .
B23 B24 B24 59.0(7) . 6
B25 B24 B24 108.3(6) . 6
B29 B24 B24 108.0(7) . 6
B23 B24 B28 106.9(12) . .
B25 B24 B28 106.3(14) . .
B29 B24 B28 58.5(12) . .
B24 B24 B28 61.0(8) 6 .
B23 B24 H24 121.6 . .
B25 B24 H24 121.7 . .
B29 B24 H24 122.6 . .
B24 B24 H24 121.2 6 .
B28 B24 H24 123.1 . .
C111 C111 C110 108.7(8) 6_565 .
C111 C111 111A 110.6 6_565 .
C110 C111 111A 105.6 . .
C111 C111 111B 110.6 6_565 .
C110 C111 111B 112.6 . .
111A C111 111B 108.7 . .
O5 C10 C11 100.7(15) . .
O5 C10 H10A 112.3 . .
C11 C10 H10A 113.1 . .
O5 C10 H10B 109.4 . .
C11 C10 H10B 111.7 . .
H10A C10 H10B 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C1 2.101(12) .
Sn1 O1 2.381(5) 6_565
Sn1 O1 2.381(5) .
Sn1 O5 2.400(9) .
Sn1 O6 2.451(8) .
Sn1 Cr1 2.574(2) .
Sn2 C101 2.102(13) .
Sn2 O7 2.376(5) 6_565
Sn2 O7 2.376(5) .
Sn2 O12 2.431(7) .
Sn2 O11 2.435(8) .
Sn2 Cr2 2.561(2) .
Cr1 C9 1.820(14) .
Cr1 C7 1.887(9) 6_565
Cr1 C7 1.887(9) .
Cr1 C8 1.899(9) 6_565
Cr1 C8 1.899(9) .
Cr2 C108 1.893(9) 6_565
Cr2 C108 1.893(9) .
Cr2 C107 1.899(8) 6_565
Cr2 C107 1.899(8) .
Cr2 C109 1.906(14) .
O11 C110 1.444(10) 6_565
O11 C110 1.444(10) .
O7 C106 1.417(10) .
O7 C105 1.430(10) .
O1 C5 1.418(11) .
O1 C6 1.430(10) .
O12 C112 1.386(13) .
O12 C112 1.386(13) 6_565
C107 O8 1.126(10) .
C7 O2 1.133(10) .
C101 C102 1.399(11) 6_565
C101 C102 1.399(11) .
C8 O3 1.136(11) .
C1 C2 1.397(11) 6_565
C1 C2 1.397(11) .
O4 C9 1.194(16) .
C108 O9 1.123(11) .
O5 C10 1.48(2) 6_565
O5 C10 1.48(2) .
B21 B18 1.74(2) .
B21 B20 1.738(16) .
B21 B19 1.752(16) .
B21 B16 1.756(16) .
B21 B17 1.759(18) .
B21 H21 1.1000 .
C105 C102 1.504(12) .
C105 105A 0.9700 .
C105 105B 0.9701 .
C102 C103 1.359(13) .
B19 B20 1.69(3) .
B19 B21 1.752(16) 6
B19 B18 1.79(3) 6
B19 B18 1.79(3) .
B19 H19 1.1001 .
C112 C113 1.480(15) .
C112 112A 0.9699 .
C112 112B 0.9699 .
B18 B17 1.756(15) .
B18 C14 1.77(2) .
B18 B18 1.80(3) 6
B18 H18 1.0999 .
C5 C2 1.506(13) .
C5 H5A 0.9700 .
C5 H5B 0.9701 .
B27 B28 1.63(4) .
B27 B29 1.72(2) 6
B27 B29 1.72(2) .
B27 B26 1.728(19) .
B27 B26 1.728(19) 6
B27 H27 1.0997 .
C113 C113 1.47(2) 6_565
C113 113A 0.9702 .
C113 113B 0.9699 .
B16 B20 1.720(17) .
B16 B16 1.73(2) 6
B16 B15 1.738(17) .
B16 B17 1.763(15) .
B16 H16 1.0999 .
B15 B16 1.738(17) 6
B15 B17 1.776(13) 6
B15 B17 1.776(13) .
B15 C14 1.785(19) .
B15 H15 1.0997 .
C109 O10 1.117(15) .
C22 B26 1.691(16) .
C22 B26 1.691(16) 6
C22 B23 1.75(3) .
C22 B25 1.750(15) 6
C22 B25 1.750(15) .
C22 H22 1.1000 .
B29 B26 1.735(19) .
B29 B25 1.74(2) .
B29 B28 1.752(18) .
B29 B24 1.76(3) .
B29 H29 1.0999 .
C6 H6A 0.9601 .
C6 H6B 0.9596 .
C6 H6C 0.9600 .
B28 B29 1.752(18) 6
B28 B24 1.82(4) .
B28 B24 1.82(4) 6
B28 H28 1.1000 .
B26 B26 1.71(2) 6
B26 B25 1.735(18) .
B26 H26 1.1002 .
B17 C14 1.779(14) .
B17 H17 1.1000 .
B25 B24 1.746(18) .
B25 B23 1.755(17) .
B25 H25 1.1000 .
C103 C104 1.385(13) .
C103 H103 0.9300 .
B20 B16 1.720(17) 6
B20 B21 1.738(16) 6
B20 H20 1.1001 .
C110 C111 1.44(2) .
C110 110A 0.9700 .
C110 110B 0.9699 .
O6 C12 1.430(10) 6_565
O6 C12 1.430(10) .
C106 H101A 0.9600 .
C106 H101B 0.9600 .
C106 H101C 0.9600 .
C14 B18 1.77(2) 6
C14 B17 1.779(14) 6
C14 H14 1.1001 .
C2 C3 1.395(14) .
C12 C13 1.450(17) .
C12 H12A 0.9700 .
C12 H12B 0.9698 .
C3 C4 1.396(16) .
C3 H3 0.9301 .
C104 C103 1.385(13) 6_565
C104 H104 0.9297 .
C4 C3 1.396(16) 6_565
C4 H4 0.9301 .
C13 C13 1.50(3) 6_565
C13 H13A 0.9700 .
C13 H13B 0.9699 .
B23 B24 1.72(3) 6
B23 B24 1.72(3) .
B23 B25 1.755(17) 6
B23 H23 1.0998 .
C11 C11 1.46(3) 6_565
C11 C10 1.54(2) .
C11 H11A 0.9701 .
C11 H11B 0.9701 .
B24 B24 1.77(3) 6
B24 H24 1.1001 .
C111 C111 1.43(4) 6_565
C111 111A 0.9695 .
C111 111B 0.9703 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
