#------------------------------------------------------------------------------
#$Date: 2018-08-11 15:19:34 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/06/7030630.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_7030630
loop_
_publ_author_name
'Kirchmann, Marius'
'Gädt, Torben'
'Schappacher, Falko M.'
'Pöttgen, Rainer'
'Weigend, Florian'
'Wesemann, Lars'
_publ_section_title
;
 Partial double bond character in chalcogen compounds of
 stanna-closo-dodecaborate
;
_journal_coden_ASTM              DTARAF
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              1055
_journal_page_last               1062
_journal_paper_doi               10.1039/b814936d
_journal_year                    2009
_chemical_formula_moiety         'B44 H44 O4 Sn4, 7(O), O, O, 8(K)'
_chemical_formula_sum            'B44 H44 K8 O13 Sn4'
_chemical_formula_weight         1515.55
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 112.671(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.7140(14)
_cell_length_b                   18.7849(8)
_cell_length_c                   14.4493(9)
_cell_measurement_temperature    173(2)
_cell_volume                     5438.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IDPS 2T'
_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  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            34054
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         5.68
_exptl_absorpt_coefficient_mu    2.470
_exptl_absorpt_correction_T_max  0.7809
_exptl_absorpt_correction_T_min  0.6523
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Stoe X-Red, X-Shape'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.308
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         4930
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.308
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0099P)²+34.6629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0619
_reflns_number_gt                4315
_reflns_number_total             4930
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7000442
_cod_data_source_file            b814936d.txt
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5438.4(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7030630
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
B101 B 0.4297(3) 0.2422(3) 0.4338(4) 0.0130(10) Uani 1 1 d .
H101 H 0.3787 0.2644 0.3907 0.016 Uiso 1 1 calc R
B102 B 0.4668(3) 0.1716(3) 0.3827(4) 0.0135(10) Uani 1 1 d .
H102 H 0.4398 0.1481 0.3064 0.016 Uiso 1 1 calc R
B103 B 0.5586(3) 0.1796(3) 0.4400(4) 0.0124(10) Uani 1 1 d .
H103 H 0.5915 0.1607 0.4013 0.015 Uiso 1 1 calc R
B104 B 0.5792(3) 0.2574(3) 0.5277(4) 0.0136(10) Uani 1 1 d .
H104 H 0.6258 0.2896 0.5466 0.016 Uiso 1 1 calc R
B105 B 0.4988(3) 0.2957(3) 0.5250(4) 0.0132(10) Uani 1 1 d .
H105 H 0.4927 0.3527 0.5423 0.016 Uiso 1 1 calc R
B106 B 0.4584(3) 0.2279(3) 0.5653(4) 0.0154(11) Uani 1 1 d .
H106 H 0.4259 0.2426 0.6066 0.019 Uiso 1 1 calc R
B107 B 0.4395(3) 0.1539(3) 0.4816(4) 0.0164(11) Uani 1 1 d .
H107 H 0.3946 0.1195 0.4680 0.020 Uiso 1 1 calc R
B108 B 0.5158(3) 0.1172(3) 0.4856(4) 0.0147(11) Uani 1 1 d .
H108 H 0.5211 0.0589 0.4747 0.018 Uiso 1 1 calc R
B109 B 0.5828(3) 0.1679(3) 0.5713(4) 0.0124(10) Uani 1 1 d .
H109 H 0.6322 0.1432 0.6166 0.015 Uiso 1 1 calc R
B110 B 0.5471(3) 0.2365(3) 0.6209(4) 0.0133(10) Uani 1 1 d .
H110 H 0.5734 0.2567 0.6993 0.016 Uiso 1 1 calc R
B111 B 0.5097(3) 0.1511(3) 0.5964(4) 0.0152(11) Uani 1 1 d .
H111 H 0.5111 0.1152 0.6590 0.018 Uiso 1 1 calc R
B201 B 0.3070(3) 0.4045(3) 0.1924(4) 0.0142(10) Uani 1 1 d .
H201 H 0.2938 0.3476 0.1991 0.017 Uiso 1 1 calc R
B202 B 0.3568(2) 0.4583(3) 0.3030(4) 0.0132(10) Uani 1 1 d .
H202 H 0.3764 0.4367 0.3813 0.016 Uiso 1 1 calc R
B203 B 0.4003(3) 0.5276(3) 0.2609(4) 0.0142(10) Uani 1 1 d .
H203 H 0.4488 0.5510 0.3125 0.017 Uiso 1 1 calc R
B204 B 0.3785(3) 0.5179(3) 0.1243(4) 0.0142(10) Uani 1 1 d .
H204 H 0.4123 0.5357 0.0866 0.017 Uiso 1 1 calc R
B205 B 0.3203(3) 0.4395(3) 0.0800(4) 0.0153(11) Uani 1 1 d .
H205 H 0.3158 0.4060 0.0136 0.018 Uiso 1 1 calc R
B206 B 0.2487(3) 0.4621(3) 0.1059(4) 0.0182(11) Uani 1 1 d .
H206 H 0.1986 0.4414 0.0555 0.022 Uiso 1 1 calc R
B207 B 0.2703(3) 0.4736(3) 0.2374(4) 0.0156(11) Uani 1 1 d .
H207 H 0.2344 0.4605 0.2735 0.019 Uiso 1 1 calc R
B208 B 0.3258(3) 0.5473(3) 0.2786(4) 0.0161(11) Uani 1 1 d .
H208 H 0.3268 0.5825 0.3416 0.019 Uiso 1 1 calc R
B209 B 0.3388(3) 0.5817(3) 0.1724(4) 0.0159(11) Uani 1 1 d .
H209 H 0.3482 0.6397 0.1657 0.019 Uiso 1 1 calc R
B210 B 0.2913(3) 0.5291(3) 0.0655(4) 0.0167(11) Uani 1 1 d .
H210 H 0.2692 0.5524 -0.0117 0.020 Uiso 1 1 calc R
B211 B 0.2591(3) 0.5495(3) 0.1595(4) 0.0187(11) Uani 1 1 d .
H211 H 0.2157 0.5863 0.1441 0.022 Uiso 1 1 calc R
K1 K 0.5000 0.65384(8) 0.2500 0.0208(3) Uani 1 2 d S
K2 K 0.5000 0.5000 0.5000 0.0202(3) Uani 1 2 d S
K3 K 0.26984(8) 0.33946(6) 0.38335(11) 0.0384(3) Uani 1 1 d .
K4 K 0.32696(6) 0.21439(6) 0.18380(10) 0.0295(3) Uani 1 1 d .
K5 K 0.39708(6) -0.00177(6) 0.32524(9) 0.0280(3) Uani 1 1 d .
O1 O 0.50639(15) 0.40021(15) 0.3493(2) 0.0106(6) Uani 1 1 d .
O2 O 0.56815(14) 0.29859(15) 0.2823(2) 0.0104(6) Uani 1 1 d .
O3 O 0.5000 0.0322(3) 0.2500 0.0471(17) Uani 1 2 d S
O4 O 0.2703(4) 0.2176(5) -0.0130(6) 0.040(2) Uani 0.50 1 d P
O5 O 0.2192(4) 0.2878(5) 0.5153(6) 0.0377(19) Uani 0.50 1 d P
O6 O 0.3645(2) -0.1140(3) 0.1662(3) 0.0478(12) Uani 1 1 d .
O7 O 0.31491(19) 0.07100(19) 0.1520(3) 0.0284(9) Uani 1 1 d .
O8 O 0.22261(19) 0.2301(2) 0.2476(3) 0.0307(9) Uani 1 1 d .
Sn1 Sn 0.505970(15) 0.287800(15) 0.36577(2) 0.00957(8) Uani 1 1 d .
Sn2 Sn 0.419915(15) 0.411473(15) 0.21415(2) 0.00957(8) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
B106 B101 B107 60.2(3) . .
B106 B101 B102 106.9(3) . .
B107 B101 B102 58.7(3) . .
B106 B101 B105 58.0(3) . .
B107 B101 B105 106.6(3) . .
B102 B101 B105 108.3(3) . .
B106 B101 Sn1 118.8(3) . .
B107 B101 Sn1 119.8(3) . .
B102 B101 Sn1 67.4(2) . .
B105 B101 Sn1 66.4(2) . .
B106 B101 K4 155.3(3) . .
B107 B101 K4 101.3(3) . .
B102 B101 K4 71.4(2) . .
B105 B101 K4 146.6(3) . .
Sn1 B101 K4 83.99(14) . .
B106 B101 H101 121.0 . .
B107 B101 H101 120.5 . .
B102 B101 H101 122.3 . .
B105 B101 H101 123.1 . .
Sn1 B101 H101 109.3 . .
K4 B101 H101 51.5 . .
B107 B102 B108 59.9(3) . .
B107 B102 B103 107.0(3) . .
B108 B102 B103 58.5(3) . .
B107 B102 B101 58.8(3) . .
B108 B102 B101 106.9(3) . .
B103 B102 B101 108.9(3) . .
B107 B102 Sn1 119.7(3) . .
B108 B102 Sn1 119.2(3) . .
B103 B102 Sn1 66.8(2) . .
B101 B102 Sn1 67.2(2) . .
B107 B102 K4 105.1(3) . .
B108 B102 K4 154.2(3) . .
B103 B102 K4 145.4(3) . .
B101 B102 K4 77.4(2) . .
Sn1 B102 K4 86.21(14) . .
B107 B102 K5 76.9(2) . .
B108 B102 K5 74.5(2) . .
B103 B102 K5 117.9(3) . .
B101 B102 K5 122.7(3) . .
Sn1 B102 K5 161.8(2) . .
K4 B102 K5 81.78(11) . .
B107 B102 H102 120.6 . .
B108 B102 H102 120.9 . .
B103 B102 H102 122.5 . .
B101 B102 H102 122.2 . .
Sn1 B102 H102 109.3 . .
K4 B102 H102 45.5 . .
K5 B102 H102 52.8 . .
B108 B103 B109 60.2(3) . .
B108 B103 B102 58.8(3) . .
B109 B103 B102 107.0(3) . .
B108 B103 B104 106.6(3) . .
B109 B103 B104 58.5(3) . .
B102 B103 B104 107.5(3) . .
B108 B103 Sn1 120.2(3) . .
B109 B103 Sn1 118.7(3) . .
B102 B103 Sn1 67.6(2) . .
B104 B103 Sn1 65.5(2) . .
B108 B103 H103 120.2 . .
B109 B103 H103 120.8 . .
B102 B103 H103 122.4 . .
B104 B103 H103 123.6 . .
Sn1 B103 H103 109.5 . .
B110 B104 B109 60.2(3) . .
B110 B104 B103 106.2(4) . .
B109 B104 B103 58.0(3) . .
B110 B104 B105 57.9(3) . .
B109 B104 B105 106.4(4) . .
B103 B104 B105 108.0(3) . .
B110 B104 Sn1 119.9(3) . .
B109 B104 Sn1 120.2(3) . .
B103 B104 Sn1 67.7(2) . .
B105 B104 Sn1 67.5(2) . .
B110 B104 H104 121.0 . .
B109 B104 H104 120.7 . .
B103 B104 H104 123.0 . .
B105 B104 H104 123.0 . .
Sn1 B104 H104 108.3 . .
B106 B105 B110 60.6(3) . .
B106 B105 B101 58.5(3) . .
B110 B105 B101 106.7(4) . .
B106 B105 B104 107.0(4) . .
B110 B105 B104 58.5(3) . .
B101 B105 B104 107.3(3) . .
B106 B105 Sn1 120.1(3) . .
B110 B105 Sn1 118.7(3) . .
B101 B105 Sn1 67.4(2) . .
B104 B105 Sn1 65.6(2) . .
B106 B105 K1 72.9(2) . 5_666
B110 B105 K1 68.9(2) . 5_666
B101 B105 K1 122.5(3) . 5_666
B104 B105 K1 115.2(3) . 5_666
Sn1 B105 K1 166.7(2) . 5_666
B106 B105 H105 120.0 . .
B110 B105 H105 120.7 . .
B101 B105 H105 122.8 . .
B104 B105 H105 123.5 . .
Sn1 B105 H105 109.5 . .
K1 B105 H105 58.3 5_666 .
B105 B106 B111 109.1(4) . .
B105 B106 B101 63.5(3) . .
B111 B106 B101 108.8(4) . .
B105 B106 B107 110.6(4) . .
B111 B106 B107 59.7(3) . .
B101 B106 B107 59.9(3) . .
B105 B106 B110 59.8(3) . .
B111 B106 B110 59.7(3) . .
B101 B106 B110 109.9(4) . .
B107 B106 B110 107.6(4) . .
B105 B106 K1 76.5(2) . 5_666
B111 B106 K1 113.0(3) . 5_666
B101 B106 K1 129.3(3) . 5_666
B107 B106 K1 170.8(3) . 5_666
B110 B106 K1 70.5(2) . 5_666
B105 B106 H106 119.6 . .
B111 B106 H106 121.9 . .
B101 B106 H106 119.9 . .
B107 B106 H106 121.6 . .
B110 B106 H106 122.0 . .
K1 B106 H106 55.9 5_666 .
B111 B107 B108 60.1(3) . .
B111 B107 B102 109.0(4) . .
B108 B107 B102 60.1(3) . .
B111 B107 B101 108.8(4) . .
B108 B107 B101 110.1(4) . .
B102 B107 B101 62.6(3) . .
B111 B107 B106 59.8(3) . .
B108 B107 B106 108.2(4) . .
B102 B107 B106 109.7(4) . .
B101 B107 B106 59.8(3) . .
B111 B107 H107 121.7 . .
B108 B107 H107 121.3 . .
B102 B107 H107 120.2 . .
B101 B107 H107 120.2 . .
B106 B107 H107 121.7 . .
B103 B108 B107 110.5(4) . .
B103 B108 B111 109.3(4) . .
B107 B108 B111 59.8(3) . .
B103 B108 B102 62.7(3) . .
B107 B108 B102 60.0(3) . .
B111 B108 B102 108.6(4) . .
B103 B108 B109 60.0(3) . .
B107 B108 B109 108.5(4) . .
B111 B108 B109 60.3(3) . .
B102 B108 B109 109.9(4) . .
B103 B108 K5 120.4(3) . 5_656
B107 B108 K5 119.5(3) . 5_656
B111 B108 K5 73.6(2) . 5_656
B102 B108 K5 175.7(3) . 5_656
B109 B108 K5 74.5(2) . 5_656
B103 B108 K5 122.1(3) . .
B107 B108 K5 77.7(2) . .
B111 B108 K5 122.1(3) . .
B102 B108 K5 76.3(2) . .
B109 B108 K5 172.7(3) . .
K5 B108 K5 99.31(14) 5_656 .
B103 B108 H108 119.8 . .
B107 B108 H108 121.3 . .
B111 B108 H108 121.7 . .
B102 B108 H108 120.4 . .
B109 B108 H108 121.4 . .
K5 B108 H108 55.8 5_656 .
K5 B108 H108 51.3 . .
B103 B109 B108 59.8(3) . .
B103 B109 B104 63.5(3) . .
B108 B109 B104 110.2(4) . .
B103 B109 B111 108.6(4) . .
B108 B109 B111 59.7(3) . .
B104 B109 B111 108.4(4) . .
B103 B109 B110 110.2(4) . .
B108 B109 B110 107.5(4) . .
B104 B109 B110 59.8(3) . .
B111 B109 B110 59.3(3) . .
B103 B109 K5 121.0(3) . 5_656
B108 B109 K5 75.4(2) . 5_656
B104 B109 K5 174.4(3) . 5_656
B111 B109 K5 74.0(2) . 5_656
B110 B109 K5 119.0(3) . 5_656
B103 B109 H109 119.8 . .
B108 B109 H109 121.8 . .
B104 B109 H109 119.9 . .
B111 B109 H109 122.2 . .
B110 B109 H109 121.9 . .
K5 B109 H109 55.4 5_656 .
B111 B110 B105 108.9(4) . .
B111 B110 B104 109.3(4) . .
B105 B110 B104 63.6(3) . .
B111 B110 B106 59.7(3) . .
B105 B110 B106 59.6(3) . .
B104 B110 B106 110.3(4) . .
B111 B110 B109 60.3(3) . .
B105 B110 B109 110.8(4) . .
B104 B110 B109 60.0(3) . .
B106 B110 B109 108.2(4) . .
B111 B110 K1 118.3(3) . 5_666
B105 B110 K1 80.0(2) . 5_666
B104 B110 K1 127.2(3) . 5_666
B106 B110 K1 77.8(2) . 5_666
B109 B110 K1 169.2(3) . 5_666
B111 B110 H110 121.7 . .
B105 B110 H110 119.8 . .
B104 B110 H110 119.6 . .
B106 B110 H110 121.8 . .
B109 B110 H110 121.2 . .
K1 B110 H110 49.1 5_666 .
B107 B111 B110 108.9(4) . .
B107 B111 B106 60.5(3) . .
B110 B111 B106 60.6(3) . .
B107 B111 B108 60.1(3) . .
B110 B111 B108 108.5(4) . .
B106 B111 B108 108.7(4) . .
B107 B111 B109 108.4(4) . .
B110 B111 B109 60.4(3) . .
B106 B111 B109 109.0(4) . .
B108 B111 B109 59.9(3) . .
B107 B111 K5 121.7(3) . 5_656
B110 B111 K5 120.9(3) . 5_656
B106 B111 K5 174.4(3) . 5_656
B108 B111 K5 76.2(2) . 5_656
B109 B111 K5 75.6(2) . 5_656
B107 B111 H111 121.3 . .
B110 B111 H111 121.2 . .
B106 B111 H111 121.0 . .
B108 B111 H111 121.6 . .
B109 B111 H111 121.4 . .
K5 B111 H111 53.4 5_656 .
B206 B201 B207 60.6(3) . .
B206 B201 B202 107.3(4) . .
B207 B201 B202 58.5(3) . .
B206 B201 B205 58.7(3) . .
B207 B201 B205 107.6(4) . .
B202 B201 B205 108.9(3) . .
B206 B201 Sn2 119.1(3) . .
B207 B201 Sn2 120.1(3) . .
B202 B201 Sn2 67.8(2) . .
B205 B201 Sn2 66.1(2) . .
B206 B201 K3 117.8(3) . .
B207 B201 K3 71.6(2) . .
B202 B201 K3 74.7(2) . .
B205 B201 K3 175.4(3) . .
Sn2 B201 K3 118.32(19) . .
B206 B201 H201 120.6 . .
B207 B201 H201 120.1 . .
B202 B201 H201 122.1 . .
B205 B201 H201 122.6 . .
Sn2 B201 H201 109.2 . .
K3 B201 H201 55.7 . .
B207 B202 B208 60.1(3) . .
B207 B202 B203 106.3(4) . .
B208 B202 B203 58.4(3) . .
B207 B202 B201 58.6(3) . .
B208 B202 B201 106.9(3) . .
B203 B202 B201 107.7(3) . .
B207 B202 Sn2 118.9(3) . .
B208 B202 Sn2 119.4(3) . .
B203 B202 Sn2 66.9(2) . .
B201 B202 Sn2 66.3(2) . .
B207 B202 K2 148.2(3) . .
B208 B202 K2 95.9(3) . .
B203 B202 K2 72.2(2) . .
B201 B202 K2 153.0(3) . .
Sn2 B202 K2 90.31(15) . .
B207 B202 K3 71.1(2) . .
B208 B202 K3 117.8(3) . .
B203 B202 K3 176.1(3) . .
B201 B202 K3 73.7(2) . .
Sn2 B202 K3 116.88(18) . .
K2 B202 K3 108.31(15) . .
B207 B202 H202 120.9 . .
B208 B202 H202 120.5 . .
B203 B202 H202 123.0 . .
B201 B202 H202 122.9 . .
Sn2 B202 H202 109.6 . .
K2 B202 H202 50.8 . .
K3 B202 H202 57.6 . .
B209 B203 B208 60.6(3) . .
B209 B203 B202 107.7(4) . .
B208 B203 B202 59.1(3) . .
B209 B203 B204 58.3(3) . .
B208 B203 B204 107.6(4) . .
B202 B203 B204 109.2(3) . .
B209 B203 Sn2 119.4(3) . .
B208 B203 Sn2 120.5(3) . .
B202 B203 Sn2 67.4(2) . .
B204 B203 Sn2 66.8(2) . .
B209 B203 K2 147.7(3) . .
B208 B203 K2 98.5(3) . .
B202 B203 K2 76.1(2) . .
B204 B203 K2 152.3(3) . .
Sn2 B203 K2 92.05(16) . .
B209 B203 H203 120.6 . .
B208 B203 H203 119.9 . .
B202 B203 H203 121.8 . .
B204 B203 H203 122.5 . .
Sn2 B203 H203 109.0 . .
K2 B203 H203 45.8 . .
B210 B204 B209 60.8(3) . .
B210 B204 B203 106.7(4) . .
B209 B204 B203 58.5(3) . .
B210 B204 B205 58.3(3) . .
B209 B204 B205 107.4(4) . .
B203 B204 B205 107.5(3) . .
B210 B204 Sn2 118.4(3) . .
B209 B204 Sn2 119.8(3) . .
B203 B204 Sn2 67.1(2) . .
B205 B204 Sn2 65.7(2) . .
B210 B204 H204 120.8 . .
B209 B204 H204 119.9 . .
B203 B204 H204 122.9 . .
B205 B204 H204 123.2 . .
Sn2 B204 H204 109.8 . .
B210 B205 B206 60.2(3) . .
B210 B205 B201 105.6(4) . .
B206 B205 B201 57.6(3) . .
B210 B205 B204 57.4(3) . .
B206 B205 B204 105.5(4) . .
B201 B205 B204 106.7(3) . .
B210 B205 Sn2 118.8(3) . .
B206 B205 Sn2 118.8(3) . .
B201 B205 Sn2 66.8(2) . .
B204 B205 Sn2 67.0(2) . .
B210 B205 H205 121.3 . .
B206 B205 H205 121.2 . .
B201 B205 H205 123.7 . .
B204 B205 H205 123.7 . .
Sn2 B205 H205 109.4 . .
B201 B206 B207 59.9(3) . .
B201 B206 B205 63.7(3) . .
B207 B206 B205 111.0(4) . .
B201 B206 B210 110.0(4) . .
B207 B206 B210 107.7(4) . .
B205 B206 B210 59.8(3) . .
B201 B206 B211 108.6(4) . .
B207 B206 B211 59.4(3) . .
B205 B206 B211 109.5(4) . .
B210 B206 B211 60.1(3) . .
B201 B206 H206 120.0 . .
B207 B206 H206 121.6 . .
B205 B206 H206 119.2 . .
B210 B206 H206 121.8 . .
B211 B206 H206 121.8 . .
B202 B207 B211 109.2(4) . .
B202 B207 B201 62.9(3) . .
B211 B207 B201 109.1(4) . .
B202 B207 B208 60.3(3) . .
B211 B207 B208 59.8(3) . .
B201 B207 B208 110.5(4) . .
B202 B207 B206 109.9(4) . .
B211 B207 B206 60.5(3) . .
B201 B207 B206 59.5(3) . .
B208 B207 B206 108.5(4) . .
B202 B207 K3 78.3(2) . .
B211 B207 K3 171.5(3) . .
B201 B207 K3 77.7(2) . .
B208 B207 K3 123.4(3) . .
B206 B207 K3 121.6(3) . .
B202 B207 K5 164.3(3) . 4
B211 B207 K5 81.4(3) . 4
B201 B207 K5 125.7(3) . 4
B208 B207 K5 119.8(3) . 4
B206 B207 K5 85.3(3) . 4
K3 B207 K5 90.43(13) . 4
B202 B207 H207 120.0 . .
B211 B207 H207 121.4 . .
B201 B207 H207 120.1 . .
B208 B207 H207 121.2 . .
B206 B207 H207 121.6 . .
K3 B207 H207 50.1 . .
K5 B207 H207 45.0 4 .
B203 B208 B211 108.4(4) . .
B203 B208 B207 109.2(4) . .
B211 B208 B207 59.9(3) . .
B203 B208 B202 62.5(3) . .
B211 B208 B202 108.6(4) . .
B207 B208 B202 59.6(3) . .
B203 B208 B209 59.7(3) . .
B211 B208 B209 59.9(3) . .
B207 B208 B209 107.8(4) . .
B202 B208 B209 109.7(4) . .
B203 B208 H208 120.6 . .
B211 B208 H208 121.8 . .
B207 B208 H208 122.0 . .
B202 B208 H208 120.3 . .
B209 B208 H208 121.7 . .
B204 B209 B203 63.2(3) . .
B204 B209 B211 109.4(4) . .
B203 B209 B211 108.3(4) . .
B204 B209 B208 110.8(4) . .
B203 B209 B208 59.7(3) . .
B211 B209 B208 59.7(3) . .
B204 B209 B210 59.5(3) . .
B203 B209 B210 109.3(4) . .
B211 B209 B210 60.5(3) . .
B208 B209 B210 108.2(4) . .
B204 B209 K1 79.1(2) . .
B203 B209 K1 67.0(2) . .
B211 B209 K1 167.8(3) . .
B208 B209 K1 109.5(3) . .
B210 B209 K1 131.4(3) . .
B204 B209 H209 119.6 . .
B203 B209 H209 120.6 . .
B211 B209 H209 121.7 . .
B208 B209 H209 121.4 . .
B210 B209 H209 121.8 . .
K1 B209 H209 57.3 . .
B204 B210 B205 64.2(3) . .
B204 B210 B209 59.7(3) . .
B205 B210 B209 111.1(4) . .
B204 B210 B206 110.7(4) . .
B205 B210 B206 60.0(3) . .
B209 B210 B206 107.8(4) . .
B204 B210 B211 108.7(4) . .
B205 B210 B211 109.6(4) . .
B209 B210 B211 59.4(3) . .
B206 B210 B211 60.0(3) . .
B204 B210 K3 104.7(3) . 6_565
B205 B210 K3 133.9(3) . 6_565
B209 B210 K3 97.2(3) . 6_565
B206 B210 K3 143.6(3) . 6_565
B211 B210 K3 116.1(3) . 6_565
B204 B210 H210 119.6 . .
B205 B210 H210 119.0 . .
B209 B210 H210 121.8 . .
B206 B210 H210 121.6 . .
B211 B210 H210 121.9 . .
B207 B211 B208 60.3(3) . .
B207 B211 B209 108.5(4) . .
B208 B211 B209 60.4(3) . .
B207 B211 B206 60.1(3) . .
B208 B211 B206 108.5(4) . .
B209 B211 B206 108.2(4) . .
B207 B211 B210 108.1(4) . .
B208 B211 B210 108.5(4) . .
B209 B211 B210 60.1(3) . .
B206 B211 B210 59.8(3) . .
B207 B211 H211 121.5 . .
B208 B211 H211 121.2 . .
B209 B211 H211 121.4 . .
B206 B211 H211 121.6 . .
B210 B211 H211 121.7 . .
B110 K1 B110 99.84(19) 5_666 6_565
B110 K1 B203 149.89(13) 5_666 2_655
B110 K1 B203 94.18(13) 6_565 2_655
B110 K1 B106 31.72(13) 5_666 5_666
B110 K1 B106 89.36(13) 6_565 5_666
B203 K1 B106 123.12(13) 2_655 5_666
B110 K1 B106 89.36(13) 5_666 6_565
B110 K1 B106 31.72(13) 6_565 6_565
B203 K1 B106 115.37(13) 2_655 6_565
B106 K1 B106 95.98(19) 5_666 6_565
B110 K1 B105 31.09(12) 5_666 5_666
B110 K1 B105 119.64(13) 6_565 5_666
B203 K1 B105 119.52(13) 2_655 5_666
B106 K1 B105 30.58(13) 5_666 5_666
B106 K1 B105 119.01(14) 6_565 5_666
B110 K1 B105 119.64(13) 5_666 6_565
B110 K1 B105 31.09(12) 6_565 6_565
B203 K1 B105 85.21(13) 2_655 6_565
B106 K1 B105 119.01(14) 5_666 6_565
B106 K1 B105 30.58(12) 6_565 6_565
B105 K1 B105 147.37(19) 5_666 6_565
B110 K1 B209 86.08(13) 5_666 .
B110 K1 B209 124.46(13) 6_565 .
B203 K1 B209 107.65(13) 2_655 .
B106 K1 B209 116.37(13) 5_666 .
B106 K1 B209 94.18(12) 6_565 .
B105 K1 B209 93.03(13) 5_666 .
B105 K1 B209 99.45(12) 6_565 .
B110 K1 B209 124.46(13) 5_666 2_655
B110 K1 B209 86.08(13) 6_565 2_655
B203 K1 B209 30.02(12) 2_655 2_655
B106 K1 B209 94.18(12) 5_666 2_655
B106 K1 B209 116.37(13) 6_565 2_655
B105 K1 B209 99.45(12) 5_666 2_655
B105 K1 B209 93.03(12) 6_565 2_655
B209 K1 B209 134.55(18) . 2_655
B110 K1 K2 162.46(9) 5_666 2_655
B110 K1 K2 81.43(9) 6_565 2_655
B203 K1 K2 46.14(9) 2_655 2_655
B106 K1 K2 164.62(9) 5_666 2_655
B106 K1 K2 82.65(9) 6_565 2_655
B105 K1 K2 157.65(10) 5_666 2_655
B105 K1 K2 54.98(9) 6_565 2_655
B209 K1 K2 79.00(9) . 2_655
B209 K1 K2 73.03(9) 2_655 2_655
B110 K1 K2 81.43(9) 5_666 .
B110 K1 K2 162.46(9) 6_565 .
B203 K1 K2 77.46(10) 2_655 .
B106 K1 K2 82.65(9) 5_666 .
B106 K1 K2 164.62(9) 6_565 .
B105 K1 K2 54.98(9) 5_666 .
B105 K1 K2 157.65(10) 6_565 .
B209 K1 K2 73.03(9) . .
B209 K1 K2 79.00(9) 2_655 .
K2 K1 K2 102.68(3) 2_655 .
O1 K2 O1 180.0 . 5_666
O1 K2 B203 61.67(11) . .
O1 K2 B203 118.33(11) 5_666 .
O1 K2 B203 118.33(11) . 5_666
O1 K2 B203 61.67(11) 5_666 5_666
B203 K2 B203 180.000(1) . 5_666
O1 K2 B202 61.22(10) . .
O1 K2 B202 118.78(10) 5_666 .
B203 K2 B202 31.75(13) . .
B203 K2 B202 148.25(13) 5_666 .
O1 K2 B202 118.78(10) . 5_666
O1 K2 B202 61.22(10) 5_666 5_666
B203 K2 B202 148.25(13) . 5_666
B203 K2 B202 31.75(13) 5_666 5_666
B202 K2 B202 180.000(1) . 5_666
O1 K2 Sn2 151.16(6) . 5_666
O1 K2 Sn2 28.84(6) 5_666 5_666
B203 K2 Sn2 145.30(9) . 5_666
B203 K2 Sn2 34.70(9) 5_666 5_666
B202 K2 Sn2 145.12(9) . 5_666
B202 K2 Sn2 34.88(9) 5_666 5_666
O1 K2 Sn2 28.84(6) . .
O1 K2 Sn2 151.16(6) 5_666 .
B203 K2 Sn2 34.70(9) . .
B203 K2 Sn2 145.30(9) 5_666 .
B202 K2 Sn2 34.88(9) . .
B202 K2 Sn2 145.12(9) 5_666 .
Sn2 K2 Sn2 180.0 5_666 .
O1 K2 K1 78.71(6) . .
O1 K2 K1 101.29(6) 5_666 .
B203 K2 K1 44.73(9) . .
B203 K2 K1 135.27(9) 5_666 .
B202 K2 K1 76.44(9) . .
B202 K2 K1 103.56(9) 5_666 .
Sn2 K2 K1 113.558(14) 5_666 .
Sn2 K2 K1 66.442(14) . .
O1 K2 K1 101.29(6) . 5_666
O1 K2 K1 78.71(6) 5_666 5_666
B203 K2 K1 135.27(9) . 5_666
B203 K2 K1 44.73(9) 5_666 5_666
B202 K2 K1 103.56(9) . 5_666
B202 K2 K1 76.44(9) 5_666 5_666
Sn2 K2 K1 66.442(14) 5_666 5_666
Sn2 K2 K1 113.558(14) . 5_666
K1 K2 K1 180.00(3) . 5_666
O5 K3 O8 95.3(2) . .
O5 K3 O5 45.3(4) . 7_556
O8 K3 O5 70.4(2) . 7_556
O5 K3 O6 68.6(2) . 4
O8 K3 O6 89.19(14) . 4
O5 K3 O6 105.6(2) 7_556 4
O5 K3 B207 145.5(2) . .
O8 K3 B207 101.97(13) . .
O5 K3 B207 168.8(2) 7_556 .
O6 K3 B207 81.94(13) 4 .
O5 K3 B201 170.7(2) . .
O8 K3 B201 80.14(12) . .
O5 K3 B201 138.1(2) 7_556 .
O6 K3 B201 103.05(13) 4 .
B207 K3 B201 30.76(13) . .
O5 K3 B202 154.2(2) . .
O8 K3 B202 110.49(12) . .
O5 K3 B202 143.3(2) 7_556 .
O6 K3 B202 111.10(13) 4 .
B207 K3 B202 30.62(12) . .
B201 K3 B202 31.59(12) . .
O5 K3 B210 72.4(2) . 6_566
O8 K3 B210 165.06(13) . 6_566
O5 K3 B210 104.6(2) 7_556 6_566
O6 K3 B210 78.48(14) 4 6_566
B207 K3 B210 84.79(14) . 6_566
B201 K3 B210 110.67(13) . 6_566
B202 K3 B210 82.13(13) . 6_566
O5 K3 K4 125.4(2) . .
O8 K3 K4 39.73(8) . .
O5 K3 K4 83.88(19) 7_556 .
O6 K3 K4 122.31(11) 4 .
B207 K3 K4 85.12(10) . .
B201 K3 K4 54.85(9) . .
B202 K3 K4 77.67(9) . .
B210 K3 K4 155.18(10) 6_566 .
O5 K3 K5 104.59(18) . 4
O8 K3 K5 91.88(9) . 4
O5 K3 K5 139.95(17) 7_556 4
O6 K3 K5 36.49(9) 4 4
B207 K3 K5 45.90(10) . 4
B201 K3 K5 67.72(9) . 4
B202 K3 K5 76.13(9) . 4
B210 K3 K5 83.26(9) 6_566 4
K4 K3 K5 105.44(4) . 4
O4 K4 O2 101.3(2) . 2_655
O4 K4 O7 82.3(2) . .
O2 K4 O7 129.65(11) 2_655 .
O4 K4 O8 104.8(2) . .
O2 K4 O8 128.86(11) 2_655 .
O7 K4 O8 97.10(12) . .
O4 K4 O4 34.2(3) . 7
O2 K4 O4 100.9(2) 2_655 7
O7 K4 O4 107.73(19) . 7
O8 K4 O4 79.23(19) . 7
O4 K4 B102 145.0(2) . .
O2 K4 B102 63.87(11) 2_655 .
O7 K4 B102 84.52(12) . .
O8 K4 B102 108.92(13) . .
O4 K4 B102 164.7(2) 7 .
O4 K4 B101 165.0(2) . .
O2 K4 B101 63.77(11) 2_655 .
O7 K4 B101 107.76(12) . .
O8 K4 B101 85.28(12) . .
O4 K4 B101 142.7(2) 7 .
B102 K4 B101 31.23(12) . .
O4 K4 Sn1 129.3(2) . .
O2 K4 Sn1 29.38(6) 2_655 .
O7 K4 Sn1 117.15(9) . .
O8 K4 Sn1 117.12(9) . .
O4 K4 Sn1 128.33(18) 7 .
B102 K4 Sn1 36.55(9) . .
B101 K4 Sn1 36.35(8) . .
O4 K4 Sn2 95.7(2) . .
O2 K4 Sn2 26.41(6) 2_655 .
O7 K4 Sn2 155.23(9) . .
O8 K4 Sn2 107.21(9) . .
O4 K4 Sn2 81.97(18) 7 .
B102 K4 Sn2 83.21(9) . .
B101 K4 Sn2 70.46(9) . .
Sn1 K4 Sn2 46.801(14) . .
O4 K4 K3 125.64(19) . .
O2 K4 K3 89.96(7) 2_655 .
O7 K4 K3 128.67(9) . .
O8 K4 K3 39.38(8) . .
O4 K4 K3 91.57(17) 7 .
B102 K4 K3 87.48(10) . .
B101 K4 K3 56.71(9) . .
Sn1 K4 K3 80.08(3) . .
Sn2 K4 K3 72.15(3) . .
O4 K4 K5 116.4(2) . .
O2 K4 K5 109.54(7) 2_655 .
O7 K4 K5 35.51(8) . .
O8 K4 K5 96.95(9) . .
O4 K4 K5 142.85(18) 7 .
B102 K4 K5 50.78(9) . .
B101 K4 K5 72.36(9) . .
Sn1 K4 K5 86.57(3) . .
Sn2 K4 K5 133.19(3) . .
K3 K4 K5 108.88(4) . .
O7 K5 O3 82.85(10) . .
O7 K5 O6 77.13(12) . .
O3 K5 O6 81.73(13) . .
O7 K5 B111 142.53(13) . 5_656
O3 K5 B111 81.97(14) . 5_656
O6 K5 B111 66.90(13) . 5_656
O7 K5 B109 139.97(12) . 5_656
O3 K5 B109 112.14(14) . 5_656
O6 K5 B109 69.22(13) . 5_656
B111 K5 B109 30.45(12) 5_656 5_656
O7 K5 B207 65.45(12) . 4_545
O3 K5 B207 145.27(10) . 4_545
O6 K5 B207 77.82(12) . 4_545
B111 K5 B207 114.42(13) 5_656 4_545
B109 K5 B207 86.34(13) 5_656 4_545
O7 K5 B108 169.89(12) . 5_656
O3 K5 B108 99.75(12) . 5_656
O6 K5 B108 93.50(13) . 5_656
B111 K5 B108 30.17(12) 5_656 5_656
B109 K5 B108 30.14(12) 5_656 5_656
B207 K5 B108 109.19(13) 4_545 5_656
O7 K5 B108 109.27(12) . .
O3 K5 B108 68.51(11) . .
O6 K5 B108 148.00(13) . .
B111 K5 B108 96.57(13) 5_656 .
B109 K5 B108 110.76(12) 5_656 .
B207 K5 B108 133.87(13) 4_545 .
B108 K5 B108 80.69(14) 5_656 .
O7 K5 B102 80.16(11) . .
O3 K5 B102 64.32(14) . .
O6 K5 B102 141.09(13) . .
B111 K5 B102 122.36(13) 5_656 .
B109 K5 B102 139.85(12) 5_656 .
B207 K5 B102 119.94(13) 4_545 .
B108 K5 B102 109.81(12) 5_656 .
B108 K5 B102 29.12(12) . .
O7 K5 K4 34.38(8) . .
O3 K5 K4 78.93(11) . .
O6 K5 K4 110.19(10) . .
B111 K5 K4 160.90(10) 5_656 .
B109 K5 K4 168.31(9) 5_656 .
B207 K5 K4 82.18(9) 4_545 .
B108 K5 K4 155.65(9) 5_656 .
B108 K5 K4 76.21(9) . .
B102 K5 K4 47.44(8) . .
O7 K5 K3 70.94(8) . 4_545
O3 K5 K3 114.06(8) . 4_545
O6 K5 K3 34.58(9) . 4_545
B111 K5 K3 84.48(9) 5_656 4_545
B109 K5 K3 69.06(9) 5_656 4_545
B207 K5 K3 43.66(9) 4_545 4_545
B108 K5 K3 99.19(9) 5_656 4_545
B108 K5 K3 177.37(9) . 4_545
B102 K5 K3 150.88(9) . 4_545
K4 K5 K3 103.53(3) . 4_545
Sn1 O1 Sn2 99.24(12) . .
Sn1 O1 Sn2 100.51(12) . 2_655
Sn2 O1 Sn2 97.91(12) . 2_655
Sn1 O1 K2 123.47(12) . .
Sn2 O1 K2 109.94(11) . .
Sn2 O1 K2 121.00(12) 2_655 .
Sn1 O2 Sn2 98.99(12) 2_655 2_655
Sn1 O2 Sn1 99.22(12) 2_655 .
Sn2 O2 Sn1 100.23(12) 2_655 .
Sn1 O2 K4 112.94(12) 2_655 2_655
Sn2 O2 K4 119.94(12) 2_655 2_655
Sn1 O2 K4 121.45(12) . 2_655
K5 O3 K5 154.7(2) . 2_655
O4 O4 K4 80.7(5) 7 .
O4 O4 K4 65.1(5) 7 7
K4 O4 K4 145.8(3) . 7
K3 O5 K3 134.7(4) . 7_556
K3 O6 K5 108.93(14) 4_545 .
K4 O7 K5 110.11(13) . .
K3 O8 K4 100.89(12) . .
O1 Sn1 O2 80.07(11) . 2_655
O1 Sn1 O2 79.16(11) . .
O2 Sn1 O2 79.73(12) 2_655 .
O1 Sn1 B104 108.93(15) . .
O2 Sn1 B104 170.43(15) 2_655 .
O2 Sn1 B104 104.75(15) . .
O1 Sn1 B105 92.95(15) . .
O2 Sn1 B105 131.38(15) 2_655 .
O2 Sn1 B105 146.47(15) . .
B104 Sn1 B105 46.89(18) . .
O1 Sn1 B103 151.47(15) . .
O2 Sn1 B103 125.42(14) 2_655 .
O2 Sn1 B103 92.13(14) . .
B104 Sn1 B103 46.81(18) . .
B105 Sn1 B103 79.35(17) . .
O1 Sn1 B101 115.86(15) . .
O2 Sn1 B101 94.13(15) 2_655 .
O2 Sn1 B101 162.80(15) . .
B104 Sn1 B101 79.15(18) . .
B105 Sn1 B101 46.13(18) . .
B103 Sn1 B101 78.27(17) . .
O1 Sn1 B102 159.41(15) . .
O2 Sn1 B102 91.65(14) 2_655 .
O2 Sn1 B102 118.14(15) . .
B104 Sn1 B102 78.78(18) . .
B105 Sn1 B102 78.35(18) . .
B103 Sn1 B102 45.61(18) . .
B101 Sn1 B102 45.49(18) . .
O1 Sn1 Sn2 40.49(8) . .
O2 Sn1 Sn2 40.52(8) 2_655 .
O2 Sn1 Sn2 82.87(8) . .
B104 Sn1 Sn2 147.50(13) . .
B105 Sn1 Sn2 112.00(13) . .
B103 Sn1 Sn2 165.67(12) . .
B101 Sn1 Sn2 102.97(12) . .
B102 Sn1 Sn2 126.02(12) . .
O1 Sn1 Sn1 83.51(8) . 2_655
O2 Sn1 Sn1 40.45(8) 2_655 2_655
O2 Sn1 Sn1 40.33(8) . 2_655
B104 Sn1 Sn1 141.58(13) . 2_655
B105 Sn1 Sn1 171.53(12) . 2_655
B103 Sn1 Sn1 107.33(12) . 2_655
B101 Sn1 Sn1 129.08(13) . 2_655
B102 Sn1 Sn1 102.42(12) . 2_655
Sn2 Sn1 Sn1 60.598(9) . 2_655
O1 Sn1 Sn2 39.90(8) . 2_655
O2 Sn1 Sn2 82.10(8) 2_655 2_655
O2 Sn1 Sn2 39.83(8) . 2_655
B104 Sn1 Sn2 106.82(13) . 2_655
B105 Sn1 Sn2 121.50(13) . 2_655
B103 Sn1 Sn2 123.30(12) . 2_655
B101 Sn1 Sn2 155.76(12) . 2_655
B102 Sn1 Sn2 157.79(13) . 2_655
Sn2 Sn1 Sn2 59.215(12) . 2_655
Sn1 Sn1 Sn2 59.565(9) 2_655 2_655
O1 Sn1 K4 108.27(8) . .
O2 Sn1 K4 37.68(8) 2_655 .
O2 Sn1 K4 109.04(8) . .
B104 Sn1 K4 133.34(14) . .
B105 Sn1 K4 104.39(13) . .
B103 Sn1 K4 100.26(12) . .
B101 Sn1 K4 59.67(13) . .
B102 Sn1 K4 57.25(12) . .
Sn2 Sn1 K4 69.071(19) . .
Sn1 Sn1 K4 69.67(2) 2_655 .
Sn2 Sn1 K4 119.77(2) 2_655 .
O2 Sn2 O1 79.84(11) 2_655 .
O2 Sn2 O1 78.94(11) 2_655 2_655
O1 Sn2 O1 80.95(12) . 2_655
O2 Sn2 B205 107.94(16) 2_655 .
O1 Sn2 B205 170.36(16) . .
O1 Sn2 B205 105.82(15) 2_655 .
O2 Sn2 B201 93.34(15) 2_655 .
O1 Sn2 B201 128.37(15) . .
O1 Sn2 B201 148.25(15) 2_655 .
B205 Sn2 B201 47.07(18) . .
O2 Sn2 B204 150.47(15) 2_655 .
O1 Sn2 B204 126.90(15) . .
O1 Sn2 B204 92.14(15) 2_655 .
B205 Sn2 B204 47.23(18) . .
B201 Sn2 B204 79.49(18) . .
O2 Sn2 B203 160.20(15) 2_655 .
O1 Sn2 B203 91.27(15) . .
O1 Sn2 B203 117.37(15) 2_655 .
B205 Sn2 B203 79.56(19) . .
B201 Sn2 B203 78.27(18) . .
B204 Sn2 B203 46.07(18) . .
O2 Sn2 B202 116.38(15) 2_655 .
O1 Sn2 B202 91.70(15) . .
O1 Sn2 B202 161.76(15) 2_655 .
B205 Sn2 B202 79.80(18) . .
B201 Sn2 B202 45.98(17) . .
B204 Sn2 B202 78.89(18) . .
B203 Sn2 B202 45.68(18) . .
O2 Sn2 Sn2 83.47(8) 2_655 2_655
O1 Sn2 Sn2 41.10(8) . 2_655
O1 Sn2 Sn2 40.99(8) 2_655 2_655
B205 Sn2 Sn2 143.54(13) . 2_655
B201 Sn2 Sn2 169.36(13) . 2_655
B204 Sn2 Sn2 108.15(13) . 2_655
B203 Sn2 Sn2 101.47(13) . 2_655
B202 Sn2 Sn2 126.97(12) . 2_655
O2 Sn2 Sn1 40.50(8) 2_655 .
O1 Sn2 Sn1 40.27(8) . .
O1 Sn2 Sn1 83.53(8) 2_655 .
B205 Sn2 Sn1 145.84(13) . .
B201 Sn2 Sn1 110.46(13) . .
B204 Sn2 Sn1 166.93(13) . .
B203 Sn2 Sn1 125.91(13) . .
B202 Sn2 Sn1 101.66(13) . .
Sn2 Sn2 Sn1 60.916(9) 2_655 .
O2 Sn2 Sn1 39.93(8) 2_655 2_655
O1 Sn2 Sn1 82.76(8) . 2_655
O1 Sn2 Sn1 39.59(8) 2_655 2_655
B205 Sn2 Sn1 106.85(14) . 2_655
B201 Sn2 Sn1 122.75(13) . 2_655
B204 Sn2 Sn1 122.68(13) . 2_655
B203 Sn2 Sn1 156.78(13) . 2_655
B202 Sn2 Sn1 156.24(13) . 2_655
Sn2 Sn2 Sn1 59.870(9) 2_655 2_655
Sn1 Sn2 Sn1 59.837(11) . 2_655
O2 Sn2 K4 33.65(8) 2_655 .
O1 Sn2 K4 103.20(8) . .
O1 Sn2 K4 106.24(8) 2_655 .
B205 Sn2 K4 81.75(14) . .
B201 Sn2 K4 59.83(13) . .
B204 Sn2 K4 128.93(13) . .
B203 Sn2 K4 135.72(13) . .
B202 Sn2 K4 91.66(13) . .
Sn2 Sn2 K4 116.976(16) 2_655 .
Sn1 Sn2 K4 64.128(18) . .
Sn1 Sn2 K4 67.434(18) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B101 B106 1.777(7) .
B101 B107 1.779(7) .
B101 B102 1.847(7) .
B101 B105 1.864(7) .
B101 Sn1 2.387(5) .
B101 K4 3.477(5) .
B101 H101 1.1200 .
B102 B107 1.777(7) .
B102 B108 1.778(7) .
B102 B103 1.848(7) .
B102 Sn1 2.390(5) .
B102 K4 3.376(5) .
B102 K5 3.551(5) .
B102 H102 1.1200 .
B103 B108 1.772(7) .
B103 B109 1.776(7) .
B103 B104 1.873(7) .
B103 Sn1 2.376(5) .
B103 H103 1.1200 .
B104 B110 1.782(7) .
B104 B109 1.785(7) .
B104 B105 1.873(7) .
B104 Sn1 2.337(5) .
B104 H104 1.1200 .
B105 B106 1.767(7) .
B105 B110 1.771(7) .
B105 Sn1 2.370(5) .
B105 K1 3.377(5) 5_666
B105 H105 1.1200 .
B106 B111 1.771(7) .
B106 B107 1.784(7) .
B106 B110 1.785(7) .
B106 K1 3.319(5) 5_666
B106 H106 1.1200 .
B107 B111 1.769(7) .
B107 B108 1.775(8) .
B107 H107 1.1200 .
B108 B111 1.776(7) .
B108 B109 1.780(7) .
B108 K5 3.431(5) 5_656
B108 K5 3.522(5) .
B108 H108 1.1200 .
B109 B111 1.787(7) .
B109 B110 1.789(7) .
B109 K5 3.416(5) 5_656
B109 H109 1.1200 .
B110 B111 1.770(7) .
B110 K1 3.200(5) 5_666
B110 H110 1.1200 .
B111 K5 3.389(5) 5_656
B111 H111 1.1200 .
B201 B206 1.765(7) .
B201 B207 1.773(7) .
B201 B202 1.848(7) .
B201 B205 1.874(7) .
B201 Sn2 2.353(5) .
B201 K3 3.387(5) .
B201 H201 1.1200 .
B202 B207 1.770(7) .
B202 B208 1.784(7) .
B202 B203 1.844(7) .
B202 Sn2 2.380(5) .
B202 K2 3.401(5) .
B202 K3 3.403(5) .
B202 H202 1.1200 .
B203 B209 1.770(7) .
B203 B208 1.769(7) .
B203 B204 1.853(7) .
B203 Sn2 2.370(5) .
B203 K2 3.336(5) .
B203 H203 1.1200 .
B204 B210 1.763(7) .
B204 B209 1.767(7) .
B204 B205 1.885(8) .
B204 Sn2 2.364(5) .
B204 H204 1.1200 .
B205 B210 1.781(8) .
B205 B206 1.785(7) .
B205 Sn2 2.341(5) .
B205 H205 1.1200 .
B206 B207 1.786(8) .
B206 B210 1.789(8) .
B206 B211 1.792(8) .
B206 H206 1.1200 .
B207 B211 1.772(7) .
B207 B208 1.780(8) .
B207 K3 3.289(5) .
B207 K5 3.421(5) 4
B207 H207 1.1200 .
B208 B211 1.772(8) .
B208 B209 1.784(7) .
B208 H208 1.1200 .
B209 B211 1.775(8) .
B209 B210 1.788(8) .
B209 K1 3.510(5) .
B209 H209 1.1200 .
B210 B211 1.794(8) .
B210 K3 3.506(6) 6_565
B210 H210 1.1200 .
B211 H211 1.1200 .
K1 B110 3.200(5) 5_666
K1 B110 3.200(5) 6_565
K1 B203 3.256(5) 2_655
K1 B106 3.319(5) 5_666
K1 B106 3.319(5) 6_565
K1 B105 3.377(5) 5_666
K1 B105 3.377(5) 6_565
K1 B209 3.510(5) 2_655
K1 K2 4.6261(9) 2_655
K1 K2 4.6261(9) .
K2 O1 2.917(3) .
K2 O1 2.917(3) 5_666
K2 B203 3.336(5) 5_666
K2 B202 3.401(5) 5_666
K2 Sn2 4.1608(4) 5_666
K2 Sn2 4.1608(4) .
K2 K1 4.6261(9) 5_666
K3 O5 2.720(8) .
K3 O8 2.751(4) .
K3 O5 2.766(8) 7_556
K3 O6 2.859(5) 4
K3 B210 3.506(6) 6_566
K3 K4 4.2578(18) .
K3 K5 4.7639(19) 4
K4 O4 2.627(8) .
K4 O2 2.659(3) 2_655
K4 O7 2.728(4) .
K4 O8 2.772(4) .
K4 O4 2.857(8) 7
K4 Sn1 4.0057(12) .
K4 Sn2 4.1582(12) .
K4 K5 4.5370(17) .
K5 O7 2.807(4) .
K5 O3 2.9080(18) .
K5 O6 2.995(5) .
K5 B111 3.389(5) 5_656
K5 B109 3.416(5) 5_656
K5 B207 3.421(5) 4_545
K5 B108 3.431(5) 5_656
K5 K3 4.7639(19) 4_545
O1 Sn1 2.125(3) .
O1 Sn2 2.135(3) .
O1 Sn2 2.139(3) 2_655
O2 Sn1 2.134(3) 2_655
O2 Sn2 2.135(3) 2_655
O2 Sn1 2.139(3) .
O2 K4 2.659(3) 2_655
O3 K5 2.9080(18) 2_655
O4 O4 1.627(17) 7
O4 K4 2.857(8) 7
O5 K3 2.766(8) 7_556
O6 K3 2.859(5) 4_545
Sn1 O2 2.134(3) 2_655
Sn1 Sn2 3.2454(4) .
Sn1 Sn1 3.2544(6) 2_655
Sn1 Sn2 3.2792(4) 2_655
Sn2 O2 2.135(3) 2_655
Sn2 O1 2.139(3) 2_655
Sn2 Sn2 3.2236(6) 2_655
Sn2 Sn1 3.2792(4) 2_655
