#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:32:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004973.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_7004973
loop_
_publ_author_name
'Chen, Yin-Qiang'
'Zhang, Jiasheng'
'Cai, Shuyi'
'Hou, Xiu-Feng'
'Schumann, Herbert'
'Jin, Guo-Xin'
_publ_section_title
;
 Syntheses and structures of heterometallic clusters by the reaction of
 o-carboranyl cobaltadichalcogenolato complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              749
_journal_page_last               758
_journal_paper_doi               10.1039/b614123d
_journal_year                    2007
_chemical_formula_sum            'C16 H35 B20 Co O2 S4 W'
_chemical_formula_weight         846.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.409(4)
_cell_angle_beta                 101.631(4)
_cell_angle_gamma                90.833(4)
_cell_formula_units_Z            4
_cell_length_a                   13.778(3)
_cell_length_b                   14.753(3)
_cell_length_c                   17.735(4)
_cell_measurement_reflns_used    835
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.841
_cell_measurement_theta_min      2.356
_cell_volume                     3513.1(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_sigmaI/netI    0.1956
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14941
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.18
_diffrn_standards_decay_%        4.91
_exptl_absorpt_coefficient_mu    4.001
_exptl_absorpt_correction_T_max  0.8250
_exptl_absorpt_correction_T_min  0.2396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.418
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.833
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         12251
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      0.833
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0623
_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)+(0.0576P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1623
_reflns_number_gt                5919
_reflns_number_total             12251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614123d.txt
_cod_data_source_block           f60610a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3513.4(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004973
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.08675(4) 0.87645(4) 0.20422(4) 0.03637(19) Uani 1 1 d . . .
W2 W 0.26063(4) 0.37806(4) 0.20651(4) 0.03817(19) Uani 1 1 d . . .
Co1 Co 0.28261(14) 0.87001(12) 0.23635(11) 0.0357(5) Uani 1 1 d . . .
Co2 Co 0.08318(14) 0.36973(12) 0.24249(11) 0.0354(5) Uani 1 1 d . . .
O1 O 0.1358(8) 0.7633(8) 0.0592(7) 0.065(3) Uani 1 1 d . . .
O2 O 0.1500(8) 1.0382(8) 0.1194(7) 0.072(4) Uani 1 1 d . . .
O3 O 0.1568(9) 0.5416(8) 0.1288(8) 0.080(4) Uani 1 1 d . . .
O4 O 0.1297(9) 0.2722(8) 0.0583(7) 0.069(3) Uani 1 1 d . . .
S1 S 0.1927(3) 0.7580(2) 0.2687(2) 0.0376(9) Uani 1 1 d . . .
S2 S 0.2057(3) 0.9615(2) 0.3132(2) 0.0418(10) Uani 1 1 d . . .
S3 S -0.0480(3) 0.7696(3) 0.1640(3) 0.0474(11) Uani 1 1 d . . .
S4 S -0.0364(3) 0.9865(3) 0.2117(3) 0.0487(11) Uani 1 1 d . . .
S5 S 0.1871(3) 0.2555(2) 0.2680(2) 0.0384(9) Uani 1 1 d . . .
S6 S 0.2044(3) 0.4577(3) 0.3192(2) 0.0447(10) Uani 1 1 d . . .
S7 S 0.3924(3) 0.4878(3) 0.2195(3) 0.0523(12) Uani 1 1 d . . .
S8 S 0.3691(3) 0.2737(3) 0.1595(3) 0.0489(11) Uani 1 1 d . . .
B1 B 0.3036(14) 0.8348(12) 0.4275(11) 0.049(5) Uani 1 1 d . . .
H1 H 0.3746 0.8402 0.4087 0.059 Uiso 1 1 calc R . .
B2 B 0.2563(16) 0.7296(15) 0.4433(11) 0.065(6) Uani 1 1 d . . .
H2 H 0.2958 0.6664 0.4347 0.078 Uiso 1 1 calc R . .
B3 B 0.1243(16) 0.7311(14) 0.4216(11) 0.065(6) Uani 1 1 d . . .
H3 H 0.0793 0.6684 0.3994 0.078 Uiso 1 1 calc R . .
B4 B 0.0886(14) 0.8377(13) 0.3902(12) 0.058(6) Uani 1 1 d . . .
H4 H 0.0197 0.8443 0.3475 0.070 Uiso 1 1 calc R . .
B5 B 0.1375(16) 0.9272(15) 0.4655(11) 0.064(6) Uani 1 1 d . . .
H5 H 0.1013 0.9928 0.4713 0.077 Uiso 1 1 calc R . .
B6 B 0.2662(16) 0.9226(16) 0.4879(11) 0.069(6) Uani 1 1 d . . .
H6 H 0.3124 0.9849 0.5087 0.083 Uiso 1 1 calc R . .
B7 B 0.2980(19) 0.8164(17) 0.5190(12) 0.083(8) Uani 1 1 d . . .
H7 H 0.3660 0.8086 0.5623 0.099 Uiso 1 1 calc R . .
B8 B 0.1888(17) 0.7524(16) 0.5184(12) 0.074(7) Uani 1 1 d . . .
H8 H 0.1846 0.7032 0.5607 0.089 Uiso 1 1 calc R . .
B9 B 0.0861(18) 0.8212(16) 0.4853(12) 0.077(7) Uani 1 1 d . . .
H9 H 0.0159 0.8175 0.5055 0.092 Uiso 1 1 calc R . .
B10 B 0.1958(15) 0.8722(16) 0.5443(13) 0.075(7) Uani 1 1 d . . .
H10 H 0.1961 0.9009 0.6039 0.090 Uiso 1 1 calc R . .
B11 B -0.1980(10) 0.8652(11) 0.2462(9) 0.041(4) Uani 1 1 d D . .
H11 H -0.1549 0.8547 0.3039 0.049 Uiso 1 1 calc R . .
B12 B -0.2650(14) 0.7757(12) 0.1916(12) 0.071(7) Uani 1 1 d D . .
H12 H -0.2656 0.7085 0.2135 0.085 Uiso 1 1 calc R . .
B13 B -0.2660(13) 0.7921(13) 0.0918(12) 0.053(5) Uani 1 1 d . . .
H13 H -0.2683 0.7336 0.0480 0.063 Uiso 1 1 calc R . .
B14 B -0.1987(14) 0.8911(12) 0.0873(12) 0.054(5) Uani 1 1 d . . .
H14 H -0.1577 0.8986 0.0409 0.065 Uiso 1 1 calc R . .
B15 B -0.2559(14) 0.9820(15) 0.1306(12) 0.062(6) Uani 1 1 d . . .
H15 H -0.2515 1.0508 0.1121 0.074 Uiso 1 1 calc R . .
B16 B -0.2518(12) 0.9652(11) 0.2315(12) 0.066(6) Uani 1 1 d D . .
H16 H -0.2435 1.0202 0.2789 0.079 Uiso 1 1 calc R . .
B18 B -0.3712(14) 0.8190(13) 0.1314(9) 0.061(6) Uani 1 1 d D . .
H18 H -0.4413 0.7789 0.1131 0.073 Uiso 1 1 calc R . .
B19 B -0.3273(14) 0.8934(13) 0.0704(12) 0.056(5) Uani 1 1 d . . .
H19 H -0.3708 0.9029 0.0127 0.067 Uiso 1 1 calc R . .
B21 B 0.3599(13) 0.3322(14) 0.3888(12) 0.058(6) Uani 1 1 d . . .
H21 H 0.4036 0.3414 0.3444 0.070 Uiso 1 1 calc R . .
B22 B 0.3427(15) 0.2242(15) 0.4180(12) 0.065(6) Uani 1 1 d . . .
H22 H 0.3762 0.1641 0.3933 0.078 Uiso 1 1 calc R . .
B23 B 0.2242(15) 0.2188(15) 0.4424(11) 0.061(6) Uani 1 1 d . . .
H23 H 0.1797 0.1547 0.4328 0.073 Uiso 1 1 calc R . .
B24 B 0.1721(16) 0.3259(13) 0.4314(10) 0.055(5) Uani 1 1 d . . .
H24 H 0.0912 0.3321 0.4152 0.066 Uiso 1 1 calc R . .
B25 B 0.2389(15) 0.4099(15) 0.4907(11) 0.063(6) Uani 1 1 d . . .
H25 H 0.2036 0.4698 0.5138 0.076 Uiso 1 1 calc R . .
B26 B 0.3608(14) 0.4170(15) 0.4650(12) 0.063(6) Uani 1 1 d . . .
H26 H 0.4038 0.4816 0.4706 0.076 Uiso 1 1 calc R . .
B27 B 0.4158(17) 0.3096(16) 0.4830(11) 0.075(7) Uani 1 1 d . . .
H27 H 0.4963 0.3043 0.5028 0.090 Uiso 1 1 calc R . .
B28 B 0.3276(19) 0.2376(18) 0.5130(13) 0.087(8) Uani 1 1 d . . .
H28 H 0.3500 0.1846 0.5522 0.104 Uiso 1 1 calc R . .
B29 B 0.2256(19) 0.3005(17) 0.5202(13) 0.086(8) Uani 1 1 d . . .
H29 H 0.1828 0.2898 0.5649 0.103 Uiso 1 1 calc R . .
B30 B 0.3454(17) 0.3577(18) 0.5437(14) 0.089(8) Uani 1 1 d . . .
H30 H 0.3816 0.3847 0.6028 0.107 Uiso 1 1 calc R . .
B31 B 0.5659(14) 0.3658(11) 0.2449(9) 0.042(5) Uani 1 1 d . . .
H31 H 0.5556 0.3525 0.3028 0.051 Uiso 1 1 calc R . .
B32 B 0.6144(15) 0.4663(14) 0.2327(12) 0.069(7) Uani 1 1 d D . .
H32 H 0.6346 0.5196 0.2814 0.083 Uiso 1 1 calc R . .
B33 B 0.5649(11) 0.4936(13) 0.1367(13) 0.065(6) Uani 1 1 d D . .
H33 H 0.5536 0.5644 0.1232 0.077 Uiso 1 1 calc R . .
B34 B 0.4800(14) 0.4057(13) 0.0895(12) 0.058(6) Uani 1 1 d . . .
H34 H 0.4145 0.4187 0.0455 0.069 Uiso 1 1 calc R . .
B35 B 0.5433(14) 0.3035(13) 0.0861(12) 0.060(6) Uani 1 1 d . . .
H35 H 0.5185 0.2493 0.0388 0.072 Uiso 1 1 calc R . .
B36 B 0.5922(13) 0.2770(13) 0.1790(12) 0.053(5) Uani 1 1 d . . .
H36 H 0.5981 0.2055 0.1918 0.063 Uiso 1 1 calc R . .
B39 B 0.6012(13) 0.4097(14) 0.0717(10) 0.068(6) Uani 1 1 d D . .
H39 H 0.6164 0.4244 0.0154 0.081 Uiso 1 1 calc R . .
B40 B 0.6690(14) 0.3312(11) 0.1291(13) 0.076(7) Uani 1 1 d D . .
H40 H 0.7292 0.2936 0.1095 0.092 Uiso 1 1 calc R . .
C1 C 0.1254(11) 0.8046(11) 0.1155(9) 0.047(4) Uani 1 1 d . . .
C2 C 0.1306(12) 0.9779(11) 0.1537(9) 0.054(5) Uani 1 1 d . . .
C3 C 0.1938(11) 0.7865(10) 0.3711(8) 0.045(4) Uani 1 1 d . . .
C4 C 0.2005(10) 0.8962(10) 0.3952(8) 0.043(4) Uani 1 1 d . . .
C5 C -0.1626(11) 0.8233(10) 0.1620(9) 0.046(4) Uani 1 1 d . . .
C6 C -0.1592(10) 0.9340(10) 0.1855(9) 0.049(4) Uani 1 1 d . . .
C7 C 0.3751(10) 0.8019(9) 0.1731(8) 0.034(4) Uani 1 1 d . . .
C8 C 0.3566(11) 0.8880(11) 0.1454(9) 0.046(4) Uani 1 1 d . . .
C9 C 0.3887(11) 0.9555(10) 0.2090(10) 0.047(4) Uani 1 1 d . . .
C10 C 0.4336(10) 0.9105(9) 0.2759(9) 0.040(4) Uani 1 1 d . . .
C11 C 0.4207(10) 0.8143(10) 0.2508(9) 0.042(4) Uani 1 1 d . . .
C12 C 0.3575(10) 0.7136(9) 0.1255(8) 0.045(4) Uani 1 1 d . . .
H12A H 0.4193 0.6919 0.1149 0.067 Uiso 1 1 calc R . .
H12B H 0.3126 0.7209 0.0776 0.067 Uiso 1 1 calc R . .
H12C H 0.3293 0.6704 0.1528 0.067 Uiso 1 1 calc R . .
C13 C 0.3237(12) 0.9056(11) 0.0637(9) 0.061(5) Uani 1 1 d . . .
H13A H 0.3803 0.9213 0.0430 0.092 Uiso 1 1 calc R . .
H13B H 0.2791 0.9551 0.0606 0.092 Uiso 1 1 calc R . .
H13C H 0.2905 0.8520 0.0345 0.092 Uiso 1 1 calc R . .
C14 C 0.3876(12) 1.0574(9) 0.2081(10) 0.061(5) Uani 1 1 d . . .
H14A H 0.4531 1.0830 0.2286 0.092 Uiso 1 1 calc R . .
H14B H 0.3430 1.0820 0.2393 0.092 Uiso 1 1 calc R . .
H14C H 0.3660 1.0722 0.1560 0.092 Uiso 1 1 calc R . .
C15 C 0.4860(11) 0.9597(11) 0.3524(10) 0.066(5) Uani 1 1 d . . .
H15A H 0.4414 1.0007 0.3720 0.099 Uiso 1 1 calc R . .
H15B H 0.5428 0.9935 0.3449 0.099 Uiso 1 1 calc R . .
H15C H 0.5069 0.9161 0.3887 0.099 Uiso 1 1 calc R . .
C16 C 0.4652(10) 0.7394(10) 0.2991(9) 0.051(4) Uani 1 1 d . . .
H16A H 0.4167 0.6908 0.2949 0.076 Uiso 1 1 calc R . .
H16B H 0.4852 0.7637 0.3522 0.076 Uiso 1 1 calc R . .
H16C H 0.5219 0.7164 0.2806 0.076 Uiso 1 1 calc R . .
C17 C 0.1916(13) 0.4807(12) 0.1581(10) 0.058(5) Uani 1 1 d . . .
C18 C 0.1753(11) 0.3094(11) 0.1157(10) 0.048(4) Uani 1 1 d . . .
C19 C 0.2431(10) 0.2805(10) 0.3693(8) 0.041(4) Uani 1 1 d . . .
C20 C 0.2548(11) 0.3899(10) 0.3982(9) 0.046(4) Uani 1 1 d . . .
C21 C 0.4963(10) 0.4359(9) 0.1889(9) 0.044(4) Uani 1 1 d . . .
C22 C 0.4863(11) 0.3283(9) 0.1587(9) 0.043(4) Uani 1 1 d . . .
C23 C -0.0446(11) 0.3014(9) 0.1796(8) 0.037(4) Uani 1 1 d . . .
C24 C -0.0498(10) 0.3122(9) 0.2593(9) 0.039(4) Uani 1 1 d . . .
C25 C -0.0434(9) 0.4072(10) 0.2848(9) 0.041(4) Uani 1 1 d . . .
C26 C -0.0345(10) 0.4572(9) 0.2216(9) 0.039(4) Uani 1 1 d . . .
C27 C -0.0388(10) 0.3945(10) 0.1554(9) 0.043(4) Uani 1 1 d . . .
C28 C -0.0550(10) 0.2172(9) 0.1292(8) 0.043(4) Uani 1 1 d . . .
H28A H -0.0154 0.1718 0.1549 0.065 Uiso 1 1 calc R . .
H28B H -0.0333 0.2273 0.0824 0.065 Uiso 1 1 calc R . .
H28C H -0.1233 0.1966 0.1168 0.065 Uiso 1 1 calc R . .
C29 C -0.0673(11) 0.2323(10) 0.3030(9) 0.052(4) Uani 1 1 d . . .
H29A H -0.1308 0.2036 0.2803 0.077 Uiso 1 1 calc R . .
H29B H -0.0658 0.2534 0.3561 0.077 Uiso 1 1 calc R . .
H29C H -0.0163 0.1891 0.3003 0.077 Uiso 1 1 calc R . .
C30 C -0.0551(12) 0.4495(10) 0.3634(9) 0.062(5) Uani 1 1 d . . .
H30A H -0.0120 0.5027 0.3784 0.093 Uiso 1 1 calc R . .
H30B H -0.0380 0.4063 0.4008 0.093 Uiso 1 1 calc R . .
H30C H -0.1225 0.4664 0.3610 0.093 Uiso 1 1 calc R . .
C31 C -0.0312(11) 0.5590(10) 0.2251(12) 0.078(6) Uani 1 1 d . . .
H31A H -0.0388 0.5771 0.1737 0.117 Uiso 1 1 calc R . .
H31B H 0.0312 0.5824 0.2557 0.117 Uiso 1 1 calc R . .
H31C H -0.0841 0.5826 0.2483 0.117 Uiso 1 1 calc R . .
C32 C -0.0489(11) 0.4162(10) 0.0725(9) 0.053(4) Uani 1 1 d . . .
H32A H -0.1179 0.4190 0.0492 0.079 Uiso 1 1 calc R . .
H32B H -0.0191 0.3695 0.0442 0.079 Uiso 1 1 calc R . .
H32C H -0.0162 0.4739 0.0716 0.079 Uiso 1 1 calc R . .
B20 B -0.3647(16) 0.9420(13) 0.1560(11) 0.067(6) Uani 1 1 d DU . .
H20 H -0.4306 0.9836 0.1536 0.080 Uiso 1 1 calc R . .
B38 B 0.6819(11) 0.4478(10) 0.1588(8) 0.068(6) Uani 1 1 d DU . .
H38 H 0.7490 0.4888 0.1584 0.081 Uiso 1 1 calc R . .
B17 B -0.3286(10) 0.8681(9) 0.2261(8) 0.044(4) Uani 1 1 d DU . .
H17 H -0.3753 0.8614 0.2689 0.053 Uiso 1 1 calc R . .
B37 B 0.6823(15) 0.3690(12) 0.2258(10) 0.059(5) Uani 1 1 d DU . .
H37 H 0.7495 0.3576 0.2687 0.070 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
_geom_angle_publ_flag
C2 W1 C1 81.7(6) . . ?
C2 W1 S3 131.3(5) . . ?
C1 W1 S3 78.1(5) . . ?
C2 W1 S4 76.3(5) . . ?
C1 W1 S4 132.3(4) . . ?
S3 W1 S4 85.56(13) . . ?
C2 W1 S2 78.4(5) . . ?
C1 W1 S2 124.4(5) . . ?
S3 W1 S2 147.94(14) . . ?
S4 W1 S2 91.83(13) . . ?
C2 W1 S1 127.0(4) . . ?
C1 W1 S1 77.7(4) . . ?
S3 W1 S1 90.92(13) . . ?
S4 W1 S1 147.77(14) . . ?
S2 W1 S1 74.55(12) . . ?
C2 W1 Co1 76.1(4) . . ?
C1 W1 Co1 73.1(5) . . ?
S3 W1 Co1 136.23(10) . . ?
S4 W1 Co1 138.03(11) . . ?
S2 W1 Co1 51.90(9) . . ?
S1 W1 Co1 51.37(9) . . ?
C17 W2 C18 81.0(7) . . ?
C17 W2 S8 129.8(5) . . ?
C18 W2 S8 76.2(5) . . ?
C17 W2 S7 78.1(5) . . ?
C18 W2 S7 132.7(4) . . ?
S8 W2 S7 85.62(13) . . ?
C17 W2 S6 79.5(5) . . ?
C18 W2 S6 126.2(4) . . ?
S8 W2 S6 148.45(14) . . ?
S7 W2 S6 90.82(14) . . ?
C17 W2 S5 127.2(5) . . ?
C18 W2 S5 78.5(4) . . ?
S8 W2 S5 91.04(13) . . ?
S7 W2 S5 146.00(14) . . ?
S6 W2 S5 74.73(12) . . ?
C17 W2 Co2 76.3(4) . . ?
C18 W2 Co2 75.2(4) . . ?
S8 W2 Co2 136.57(11) . . ?
S7 W2 Co2 137.48(10) . . ?
S6 W2 Co2 51.53(10) . . ?
S5 W2 Co2 51.59(9) . . ?
C11 Co1 C7 39.2(5) . . ?
C11 Co1 C9 67.4(5) . . ?
C7 Co1 C9 67.0(5) . . ?
C11 Co1 C8 66.3(6) . . ?
C7 Co1 C8 39.5(5) . . ?
C9 Co1 C8 39.8(6) . . ?
C11 Co1 C10 40.5(5) . . ?
C7 Co1 C10 67.1(6) . . ?
C9 Co1 C10 40.4(6) . . ?
C8 Co1 C10 67.1(6) . . ?
C11 Co1 S1 101.1(4) . . ?
C7 Co1 S1 103.7(4) . . ?
C9 Co1 S1 168.5(4) . . ?
C8 Co1 S1 135.9(5) . . ?
C10 Co1 S1 130.8(4) . . ?
C11 Co1 S2 133.9(5) . . ?
C7 Co1 S2 169.6(4) . . ?
C9 Co1 S2 103.9(4) . . ?
C8 Co1 S2 135.5(5) . . ?
C10 Co1 S2 102.8(4) . . ?
S1 Co1 S2 84.72(15) . . ?
C11 Co1 W1 158.5(4) . . ?
C7 Co1 W1 128.9(4) . . ?
C9 Co1 W1 129.9(4) . . ?
C8 Co1 W1 116.9(4) . . ?
C10 Co1 W1 160.8(4) . . ?
S1 Co1 W1 61.00(11) . . ?
S2 Co1 W1 60.44(11) . . ?
C23 Co2 C26 68.5(5) . . ?
C23 Co2 C25 67.4(6) . . ?
C26 Co2 C25 39.8(5) . . ?
C23 Co2 C24 40.0(5) . . ?
C26 Co2 C24 67.5(5) . . ?
C25 Co2 C24 39.8(5) . . ?
C23 Co2 C27 41.5(5) . . ?
C26 Co2 C27 39.5(5) . . ?
C25 Co2 C27 66.4(6) . . ?
C24 Co2 C27 67.4(5) . . ?
C23 Co2 S6 170.7(4) . . ?
C26 Co2 S6 103.5(4) . . ?
C25 Co2 S6 103.5(4) . . ?
C24 Co2 S6 133.4(4) . . ?
C27 Co2 S6 134.3(4) . . ?
C23 Co2 S5 102.4(4) . . ?
C26 Co2 S5 168.7(4) . . ?
C25 Co2 S5 131.3(4) . . ?
C24 Co2 S5 101.3(4) . . ?
C27 Co2 S5 136.6(5) . . ?
S6 Co2 S5 84.87(15) . . ?
C23 Co2 W2 128.2(4) . . ?
C26 Co2 W2 130.0(4) . . ?
C25 Co2 W2 161.2(4) . . ?
C24 Co2 W2 158.7(4) . . ?
C27 Co2 W2 116.7(4) . . ?
S6 Co2 W2 60.42(11) . . ?
S5 Co2 W2 60.70(11) . . ?
C3 S1 Co1 104.9(5) . . ?
C3 S1 W1 103.6(5) . . ?
Co1 S1 W1 67.64(11) . . ?
C4 S2 Co1 104.2(5) . . ?
C4 S2 W1 103.4(5) . . ?
Co1 S2 W1 67.67(12) . . ?
C5 S3 W1 111.0(5) . . ?
C6 S4 W1 111.0(5) . . ?
C19 S5 Co2 104.1(5) . . ?
C19 S5 W2 102.8(5) . . ?
Co2 S5 W2 67.71(11) . . ?
C20 S6 Co2 105.2(5) . . ?
C20 S6 W2 103.2(5) . . ?
Co2 S6 W2 68.06(12) . . ?
C21 S7 W2 110.0(5) . . ?
C22 S8 W2 111.2(5) . . ?
B7 B1 C4 105.3(14) . . ?
B7 B1 C3 105.0(15) . . ?
C4 B1 C3 56.2(9) . . ?
B7 B1 B2 62.0(12) . . ?
C4 B1 B2 104.8(14) . . ?
C3 B1 B2 58.2(10) . . ?
B7 B1 B6 60.8(12) . . ?
C4 B1 B6 59.1(10) . . ?
C3 B1 B6 104.7(13) . . ?
B2 B1 B6 110.8(15) . . ?
C3 B2 B1 60.8(10) . . ?
C3 B2 B7 103.6(15) . . ?
B1 B2 B7 57.5(11) . . ?
C3 B2 B3 58.0(10) . . ?
B1 B2 B3 108.8(14) . . ?
B7 B2 B3 107.0(16) . . ?
C3 B2 B8 103.0(15) . . ?
B1 B2 B8 105.9(15) . . ?
B7 B2 B8 59.5(13) . . ?
B3 B2 B8 59.3(12) . . ?
C3 B3 B4 59.9(10) . . ?
C3 B3 B8 104.0(15) . . ?
B4 B3 B8 106.5(15) . . ?
C3 B3 B2 58.3(10) . . ?
B4 B3 B2 108.6(14) . . ?
B8 B3 B2 60.4(12) . . ?
C3 B3 B9 103.8(14) . . ?
B4 B3 B9 58.0(11) . . ?
B8 B3 B9 59.9(12) . . ?
B2 B3 B9 108.1(16) . . ?
C3 B4 B9 105.9(14) . . ?
C3 B4 C4 56.2(9) . . ?
B9 B4 C4 104.7(15) . . ?
C3 B4 B3 57.9(10) . . ?
B9 B4 B3 62.6(12) . . ?
C4 B4 B3 103.9(13) . . ?
C3 B4 B5 103.0(13) . . ?
B9 B4 B5 61.1(12) . . ?
C4 B4 B5 56.9(10) . . ?
B3 B4 B5 109.8(15) . . ?
C4 B5 B6 60.0(10) . . ?
C4 B5 B10 104.5(14) . . ?
B6 B5 B10 59.7(12) . . ?
C4 B5 B9 103.9(13) . . ?
B6 B5 B9 108.2(15) . . ?
B10 B5 B9 59.9(12) . . ?
C4 B5 B4 59.5(9) . . ?
B6 B5 B4 109.1(13) . . ?
B10 B5 B4 105.7(15) . . ?
B9 B5 B4 57.5(11) . . ?
C4 B6 B10 103.8(15) . . ?
C4 B6 B5 58.6(10) . . ?
B10 B6 B5 60.2(12) . . ?
C4 B6 B7 103.3(15) . . ?
B10 B6 B7 60.6(13) . . ?
B5 B6 B7 108.7(17) . . ?
C4 B6 B1 59.6(10) . . ?
B10 B6 B1 107.0(16) . . ?
B5 B6 B1 109.0(15) . . ?
B7 B6 B1 57.7(11) . . ?
B1 B7 B6 61.5(11) . . ?
B1 B7 B10 109.0(16) . . ?
B6 B7 B10 59.4(12) . . ?
B1 B7 B8 109.3(17) . . ?
B6 B7 B8 109.1(17) . . ?
B10 B7 B8 60.8(13) . . ?
B1 B7 B2 60.6(11) . . ?
B6 B7 B2 110.2(15) . . ?
B10 B7 B2 109.6(19) . . ?
B8 B7 B2 60.7(14) . . ?
B7 B8 B3 107.9(14) . . ?
B7 B8 B10 59.4(13) . . ?
B3 B8 B10 108.4(15) . . ?
B7 B8 B2 59.7(12) . . ?
B3 B8 B2 60.3(11) . . ?
B10 B8 B2 107.7(15) . . ?
B7 B8 B9 107.5(16) . . ?
B3 B8 B9 61.5(12) . . ?
B10 B8 B9 59.4(12) . . ?
B2 B8 B9 109.4(14) . . ?
B4 B9 B10 107.8(16) . . ?
B4 B9 B8 106.7(15) . . ?
B10 B9 B8 60.1(13) . . ?
B4 B9 B5 61.4(11) . . ?
B10 B9 B5 58.5(13) . . ?
B8 B9 B5 106.6(17) . . ?
B4 B9 B3 59.4(11) . . ?
B10 B9 B3 106.7(16) . . ?
B8 B9 B3 58.6(12) . . ?
B5 B9 B3 107.6(14) . . ?
B6 B10 B5 60.1(12) . . ?
B6 B10 B7 59.9(12) . . ?
B5 B10 B7 108.1(15) . . ?
B6 B10 B9 110.0(16) . . ?
B5 B10 B9 61.7(12) . . ?
B7 B10 B9 108.7(17) . . ?
B6 B10 B8 108.7(15) . . ?
B5 B10 B8 109.4(16) . . ?
B7 B10 B8 59.8(13) . . ?
B9 B10 B8 60.5(13) . . ?
B16 B11 B12 112.5(10) . . ?
B16 B11 C6 60.1(9) . . ?
B12 B11 C6 108.2(12) . . ?
B16 B11 C5 108.2(12) . . ?
B12 B11 C5 61.8(9) . . ?
C6 B11 C5 57.4(8) . . ?
B16 B11 B17 61.1(6) . . ?
B12 B11 B17 60.9(6) . . ?
C6 B11 B17 105.8(10) . . ?
C5 B11 B17 107.3(10) . . ?
B11 B12 B17 61.3(6) . . ?
B11 B12 C5 59.8(9) . . ?
B17 B12 C5 106.1(12) . . ?
B11 B12 B18 108.4(10) . . ?
B17 B12 B18 58.9(6) . . ?
C5 B12 B18 104.8(13) . . ?
B11 B12 B13 106.7(13) . . ?
B17 B12 B13 105.2(12) . . ?
C5 B12 B13 57.6(9) . . ?
B18 B12 B13 58.9(10) . . ?
C5 B13 B14 60.2(10) . . ?
C5 B13 B19 106.3(13) . . ?
B14 B13 B19 59.6(10) . . ?
C5 B13 B18 107.6(13) . . ?
B14 B13 B18 109.9(13) . . ?
B19 B13 B18 61.0(10) . . ?
C5 B13 B12 59.8(10) . . ?
B14 B13 B12 109.6(14) . . ?
B19 B13 B12 108.3(13) . . ?
B18 B13 B12 60.2(10) . . ?
C5 B14 B13 59.4(10) . . ?
C5 B14 B19 106.7(13) . . ?
B13 B14 B19 60.9(11) . . ?
C5 B14 B15 103.3(14) . . ?
B13 B14 B15 107.4(14) . . ?
B19 B14 B15 60.4(10) . . ?
C5 B14 C6 56.1(9) . . ?
B13 B14 C6 103.5(13) . . ?
B19 B14 C6 104.7(13) . . ?
B15 B14 C6 57.3(10) . . ?
C6 B15 B14 61.7(10) . . ?
C6 B15 B19 107.2(14) . . ?
B14 B15 B19 59.2(11) . . ?
C6 B15 B20 107.3(14) . . ?
B14 B15 B20 109.8(15) . . ?
B19 B15 B20 61.1(12) . . ?
C6 B15 B16 57.5(10) . . ?
B14 B15 B16 109.3(14) . . ?
B19 B15 B16 109.7(14) . . ?
B20 B15 B16 61.9(10) . . ?
B11 B16 C6 60.6(9) . . ?
B11 B16 B17 61.9(6) . . ?
C6 B16 B17 106.8(12) . . ?
B11 B16 B15 106.4(13) . . ?
C6 B16 B15 57.4(10) . . ?
B17 B16 B15 103.5(13) . . ?
B11 B16 B20 107.4(11) . . ?
C6 B16 B20 103.6(14) . . ?
B17 B16 B20 57.6(6) . . ?
B15 B16 B20 57.5(11) . . ?
B17 B18 B13 107.5(12) . . ?
B17 B18 B19 105.9(12) . . ?
B13 B18 B19 59.3(10) . . ?
B17 B18 B12 59.6(6) . . ?
B13 B18 B12 61.0(10) . . ?
B19 B18 B12 107.6(13) . . ?
B17 B18 B20 58.1(6) . . ?
B13 B18 B20 106.4(13) . . ?
B19 B18 B20 59.3(10) . . ?
B12 B18 B20 106.1(10) . . ?
B14 B19 B15 60.4(10) . . ?
B14 B19 B13 59.5(10) . . ?
B15 B19 B13 106.3(14) . . ?
B14 B19 B20 109.3(14) . . ?
B15 B19 B20 59.5(11) . . ?
B13 B19 B20 108.2(13) . . ?
B14 B19 B18 108.7(13) . . ?
B15 B19 B18 107.7(14) . . ?
B13 B19 B18 59.7(10) . . ?
B20 B19 B18 61.2(10) . . ?
C20 B21 C19 56.9(9) . . ?
C20 B21 B22 105.8(14) . . ?
C19 B21 B22 59.9(10) . . ?
C20 B21 B26 58.7(10) . . ?
C19 B21 B26 106.1(13) . . ?
B22 B21 B26 110.9(16) . . ?
C20 B21 B27 105.5(14) . . ?
C19 B21 B27 106.5(15) . . ?
B22 B21 B27 60.9(12) . . ?
B26 B21 B27 61.5(12) . . ?
B28 B22 C19 103.2(14) . . ?
B28 B22 B21 108.2(16) . . ?
C19 B22 B21 59.4(10) . . ?
B28 B22 B23 57.9(12) . . ?
C19 B22 B23 58.4(10) . . ?
B21 B22 B23 108.0(14) . . ?
B28 B22 B27 61.5(13) . . ?
C19 B22 B27 105.2(14) . . ?
B21 B22 B27 59.8(12) . . ?
B23 B22 B27 107.9(15) . . ?
B28 B23 C19 105.7(16) . . ?
B28 B23 B29 59.8(13) . . ?
C19 B23 B29 104.1(15) . . ?
B28 B23 B24 105.6(16) . . ?
C19 B23 B24 59.2(9) . . ?
B29 B23 B24 57.3(11) . . ?
B28 B23 B22 59.9(12) . . ?
C19 B23 B22 59.7(10) . . ?
B29 B23 B22 107.2(17) . . ?
B24 B23 B22 107.4(14) . . ?
B29 B24 B25 63.3(13) . . ?
B29 B24 C20 108.0(16) . . ?
B25 B24 C20 60.3(11) . . ?
B29 B24 C19 106.9(15) . . ?
B25 B24 C19 108.3(15) . . ?
C20 B24 C19 57.5(9) . . ?
B29 B24 B23 60.9(12) . . ?
B25 B24 B23 112.7(15) . . ?
C20 B24 B23 106.3(13) . . ?
C19 B24 B23 59.1(9) . . ?
B24 B25 C20 60.4(10) . . ?
B24 B25 B29 58.3(12) . . ?
C20 B25 B29 104.3(14) . . ?
B24 B25 B30 106.3(16) . . ?
C20 B25 B30 102.0(14) . . ?
B29 B25 B30 60.5(13) . . ?
B24 B25 B26 107.8(14) . . ?
C20 B25 B26 57.5(10) . . ?
B29 B25 B26 107.0(14) . . ?
B30 B25 B26 58.0(11) . . ?
C20 B26 B21 59.7(10) . . ?
C20 B26 B30 103.5(15) . . ?
B21 B26 B30 104.9(16) . . ?
C20 B26 B27 104.6(14) . . ?
B21 B26 B27 59.4(11) . . ?
B30 B26 B27 57.3(12) . . ?
C20 B26 B25 57.3(10) . . ?
B21 B26 B25 106.5(14) . . ?
B30 B26 B25 60.2(11) . . ?
B27 B26 B25 105.7(15) . . ?
B30 B27 B21 107.2(15) . . ?
B30 B27 B22 108.6(17) . . ?
B21 B27 B22 59.3(11) . . ?
B30 B27 B26 60.4(12) . . ?
B21 B27 B26 59.1(11) . . ?
B22 B27 B26 107.6(13) . . ?
B30 B27 B28 61.9(14) . . ?
B21 B27 B28 105.1(15) . . ?
B22 B27 B28 58.1(13) . . ?
B26 B27 B28 108.5(15) . . ?
B23 B28 B29 61.4(13) . . ?
B23 B28 B22 62.3(12) . . ?
B29 B28 B22 110.3(15) . . ?
B23 B28 B27 110.5(16) . . ?
B29 B28 B27 107.6(17) . . ?
B22 B28 B27 60.4(12) . . ?
B23 B28 B30 110.0(16) . . ?
B29 B28 B30 61.3(14) . . ?
B22 B28 B30 106.2(17) . . ?
B27 B28 B30 56.6(13) . . ?
B24 B29 B28 108.4(16) . . ?
B24 B29 B23 61.8(12) . . ?
B28 B29 B23 58.8(13) . . ?
B24 B29 B25 58.4(11) . . ?
B28 B29 B25 110.9(19) . . ?
B23 B29 B25 109.5(15) . . ?
B24 B29 B30 106.7(17) . . ?
B28 B29 B30 61.7(15) . . ?
B23 B29 B30 108.2(17) . . ?
B25 B29 B30 60.9(13) . . ?
B27 B30 B26 62.3(13) . . ?
B27 B30 B29 108.1(19) . . ?
B26 B30 B29 108.5(15) . . ?
B27 B30 B28 61.5(14) . . ?
B26 B30 B28 109.6(17) . . ?
B29 B30 B28 56.9(13) . . ?
B27 B30 B25 111.0(16) . . ?
B26 B30 B25 61.8(12) . . ?
B29 B30 B25 58.6(12) . . ?
B28 B30 B25 105.2(16) . . ?
B32 B31 C21 60.7(10) . . ?
B32 B31 B37 61.8(11) . . ?
C21 B31 B37 108.0(12) . . ?
B32 B31 C22 106.8(13) . . ?
C21 B31 C22 56.8(8) . . ?
B37 B31 C22 106.6(12) . . ?
B32 B31 B36 112.6(13) . . ?
C21 B31 B36 104.2(12) . . ?
B37 B31 B36 64.1(10) . . ?
C22 B31 B36 56.2(9) . . ?
B31 B32 C21 59.9(10) . . ?
B31 B32 B37 60.2(11) . . ?
C21 B32 B37 106.1(14) . . ?
B31 B32 B38 107.4(13) . . ?
C21 B32 B38 104.3(13) . . ?
B37 B32 B38 59.7(6) . . ?
B31 B32 B33 108.9(15) . . ?
C21 B32 B33 59.1(11) . . ?
B37 B32 B33 107.8(11) . . ?
B38 B32 B33 58.9(7) . . ?
C21 B33 B38 103.7(12) . . ?
C21 B33 B39 105.2(13) . . ?
B38 B33 B39 60.0(6) . . ?
C21 B33 B34 60.2(10) . . ?
B38 B33 B34 108.1(13) . . ?
B39 B33 B34 60.0(11) . . ?
C21 B33 B32 57.6(10) . . ?
B38 B33 B32 59.7(7) . . ?
B39 B33 B32 107.9(11) . . ?
B34 B33 B32 108.5(14) . . ?
C22 B34 C21 55.4(9) . . ?
C22 B34 B35 56.4(10) . . ?
C21 B34 B35 102.0(14) . . ?
C22 B34 B39 103.8(13) . . ?
C21 B34 B39 104.0(13) . . ?
B35 B34 B39 62.0(11) . . ?
C22 B34 B33 103.1(14) . . ?
C21 B34 B33 58.6(11) . . ?
B35 B34 B33 108.5(13) . . ?
B39 B34 B33 59.9(11) . . ?
C22 B35 B36 58.1(10) . . ?
C22 B35 B34 61.4(10) . . ?
B36 B35 B34 110.2(14) . . ?
C22 B35 B40 102.6(14) . . ?
B36 B35 B40 59.6(11) . . ?
B34 B35 B40 106.5(13) . . ?
C22 B35 B39 105.5(13) . . ?
B36 B35 B39 108.4(13) . . ?
B34 B35 B39 59.2(11) . . ?
B40 B35 B39 59.1(11) . . ?
C22 B36 B35 58.6(10) . . ?
C22 B36 B40 104.4(14) . . ?
B35 B36 B40 61.3(12) . . ?
C22 B36 B31 60.9(9) . . ?
B35 B36 B31 108.2(13) . . ?
B40 B36 B31 102.8(13) . . ?
C22 B36 B37 104.3(12) . . ?
B35 B36 B37 107.6(13) . . ?
B40 B36 B37 57.5(11) . . ?
B31 B36 B37 56.4(10) . . ?
B38 B39 B33 59.5(7) . . ?
B38 B39 B34 107.8(13) . . ?
B33 B39 B34 60.1(10) . . ?
B38 B39 B40 59.6(7) . . ?
B33 B39 B40 106.1(11) . . ?
B34 B39 B40 106.3(14) . . ?
B38 B39 B35 107.1(13) . . ?
B33 B39 B35 106.2(13) . . ?
B34 B39 B35 58.8(10) . . ?
B40 B39 B35 59.3(11) . . ?
B37 B40 B36 64.2(12) . . ?
B37 B40 B38 60.0(7) . . ?
B36 B40 B38 111.0(13) . . ?
B37 B40 B39 109.9(10) . . ?
B36 B40 B39 110.1(14) . . ?
B38 B40 B39 59.8(6) . . ?
B37 B40 B35 111.1(15) . . ?
B36 B40 B35 59.1(11) . . ?
B38 B40 B35 109.1(12) . . ?
B39 B40 B35 61.6(11) . . ?
O1 C1 W1 171.5(14) . . ?
O2 C2 W1 174.8(14) . . ?
C4 C3 B3 112.3(12) . . ?
C4 C3 B2 111.4(13) . . ?
B3 C3 B2 63.7(11) . . ?
C4 C3 B4 62.4(9) . . ?
B3 C3 B4 62.2(11) . . ?
B2 C3 B4 114.8(13) . . ?
C4 C3 B1 61.5(9) . . ?
B3 C3 B1 113.5(13) . . ?
B2 C3 B1 61.0(10) . . ?
B4 C3 B1 114.1(13) . . ?
C4 C3 S1 112.3(9) . . ?
B3 C3 S1 124.2(12) . . ?
B2 C3 S1 124.7(12) . . ?
B4 C3 S1 114.6(11) . . ?
B1 C3 S1 116.5(10) . . ?
C3 C4 B5 112.5(12) . . ?
C3 C4 B6 111.4(12) . . ?
B5 C4 B6 61.5(11) . . ?
C3 C4 B1 62.4(9) . . ?
B5 C4 B1 112.8(13) . . ?
B6 C4 B1 61.3(10) . . ?
C3 C4 B4 61.4(9) . . ?
B5 C4 B4 63.5(11) . . ?
B6 C4 B4 113.6(13) . . ?
B1 C4 B4 114.0(12) . . ?
C3 C4 S2 112.5(10) . . ?
B5 C4 S2 124.3(11) . . ?
B6 C4 S2 125.4(12) . . ?
B1 C4 S2 116.2(10) . . ?
B4 C4 S2 115.1(11) . . ?
C6 C5 B13 109.9(11) . . ?
C6 C5 B11 60.6(9) . . ?
B13 C5 B11 109.7(11) . . ?
C6 C5 B14 63.1(9) . . ?
B13 C5 B14 60.4(10) . . ?
B11 C5 B14 112.7(11) . . ?
C6 C5 B12 108.1(11) . . ?
B13 C5 B12 62.6(11) . . ?
B11 C5 B12 58.4(9) . . ?
B14 C5 B12 112.0(12) . . ?
C6 C5 S3 117.6(10) . . ?
B13 C5 S3 122.2(11) . . ?
B11 C5 S3 121.3(10) . . ?
B14 C5 S3 115.6(11) . . ?
B12 C5 S3 124.6(10) . . ?
C5 C6 B15 110.2(13) . . ?
C5 C6 B16 111.4(11) . . ?
B15 C6 B16 65.0(11) . . ?
C5 C6 B11 62.0(9) . . ?
B15 C6 B11 111.5(12) . . ?
B16 C6 B11 59.3(10) . . ?
C5 C6 B14 60.8(10) . . ?
B15 C6 B14 61.0(10) . . ?
B16 C6 B14 114.9(12) . . ?
B11 C6 B14 112.0(12) . . ?
C5 C6 S4 114.9(9) . . ?
B15 C6 S4 123.0(11) . . ?
B16 C6 S4 122.9(11) . . ?
B11 C6 S4 119.5(9) . . ?
B14 C6 S4 115.9(11) . . ?
C11 C7 C8 109.0(13) . . ?
C11 C7 C12 125.3(13) . . ?
C8 C7 C12 125.4(14) . . ?
C11 C7 Co1 70.0(8) . . ?
C8 C7 Co1 71.7(8) . . ?
C12 C7 Co1 128.8(10) . . ?
C7 C8 C9 107.6(13) . . ?
C7 C8 C13 126.2(15) . . ?
C9 C8 C13 125.7(15) . . ?
C7 C8 Co1 68.9(8) . . ?
C9 C8 Co1 68.9(8) . . ?
C13 C8 Co1 134.1(11) . . ?
C8 C9 C10 108.6(12) . . ?
C8 C9 C14 127.6(15) . . ?
C10 C9 C14 123.5(16) . . ?
C8 C9 Co1 71.3(9) . . ?
C10 C9 Co1 71.3(8) . . ?
C14 C9 Co1 128.0(9) . . ?
C11 C10 C9 105.0(14) . . ?
C11 C10 C15 130.5(14) . . ?
C9 C10 C15 124.4(13) . . ?
C11 C10 Co1 67.7(8) . . ?
C9 C10 Co1 68.3(8) . . ?
C15 C10 Co1 130.1(10) . . ?
C7 C11 C10 109.6(14) . . ?
C7 C11 C16 125.4(13) . . ?
C10 C11 C16 124.3(15) . . ?
C7 C11 Co1 70.8(8) . . ?
C10 C11 Co1 71.8(8) . . ?
C16 C11 Co1 131.2(10) . . ?
O3 C17 W2 175.9(14) . . ?
O4 C18 W2 174.2(14) . . ?
C20 C19 B23 111.1(12) . . ?
C20 C19 B24 60.8(9) . . ?
B23 C19 B24 61.7(10) . . ?
C20 C19 B21 61.3(10) . . ?
B23 C19 B21 112.0(13) . . ?
B24 C19 B21 111.4(13) . . ?
C20 C19 B22 109.9(13) . . ?
B23 C19 B22 61.9(10) . . ?
B24 C19 B22 111.2(13) . . ?
B21 C19 B22 60.7(11) . . ?
C20 C19 S5 113.7(10) . . ?
B23 C19 S5 125.7(12) . . ?
B24 C19 S5 119.0(11) . . ?
B21 C19 S5 115.7(10) . . ?
B22 C19 S5 124.7(11) . . ?
C19 C20 B25 110.8(12) . . ?
C19 C20 B24 61.7(9) . . ?
B25 C20 B24 59.2(10) . . ?
C19 C20 B26 112.3(12) . . ?
B25 C20 B26 65.2(11) . . ?
B24 C20 B26 113.1(14) . . ?
C19 C20 B21 61.7(9) . . ?
B25 C20 B21 114.3(13) . . ?
B24 C20 B21 112.5(13) . . ?
B26 C20 B21 61.6(10) . . ?
C19 C20 S6 111.1(10) . . ?
B25 C20 S6 125.3(11) . . ?
B24 C20 S6 116.6(11) . . ?
B26 C20 S6 124.8(11) . . ?
B21 C20 S6 115.8(11) . . ?
C22 C21 B31 63.2(9) . . ?
C22 C21 B32 110.9(12) . . ?
B31 C21 B32 59.4(11) . . ?
C22 C21 B33 110.7(12) . . ?
B31 C21 B33 111.8(12) . . ?
B32 C21 B33 63.3(11) . . ?
C22 C21 B34 62.2(10) . . ?
B31 C21 B34 115.2(11) . . ?
B32 C21 B34 114.1(12) . . ?
B33 C21 B34 61.2(11) . . ?
C22 C21 S7 118.0(10) . . ?
B31 C21 S7 119.9(11) . . ?
B32 C21 S7 122.1(10) . . ?
B33 C21 S7 120.1(10) . . ?
B34 C21 S7 115.0(10) . . ?
C21 C22 B36 112.5(12) . . ?
C21 C22 B35 112.3(12) . . ?
B36 C22 B35 63.3(11) . . ?
C21 C22 B31 60.0(9) . . ?
B36 C22 B31 62.9(10) . . ?
B35 C22 B31 113.6(12) . . ?
C21 C22 B34 62.4(10) . . ?
B36 C22 B34 115.1(13) . . ?
B35 C22 B34 62.1(10) . . ?
B31 C22 B34 112.6(12) . . ?
C21 C22 S8 115.3(9) . . ?
B36 C22 S8 122.8(11) . . ?
B35 C22 S8 120.5(11) . . ?
B31 C22 S8 120.1(11) . . ?
B34 C22 S8 113.8(10) . . ?
C24 C23 C28 127.1(13) . . ?
C24 C23 C27 106.5(12) . . ?
C28 C23 C27 126.1(13) . . ?
C24 C23 Co2 70.8(8) . . ?
C28 C23 Co2 129.3(10) . . ?
C27 C23 Co2 70.2(8) . . ?
C23 C24 C25 108.4(13) . . ?
C23 C24 C29 122.3(13) . . ?
C25 C24 C29 129.1(14) . . ?
C23 C24 Co2 69.2(8) . . ?
C25 C24 Co2 70.0(8) . . ?
C29 C24 Co2 130.0(10) . . ?
C26 C25 C24 109.0(14) . . ?
C26 C25 C30 124.7(13) . . ?
C24 C25 C30 126.0(14) . . ?
C26 C25 Co2 69.6(8) . . ?
C24 C25 Co2 70.1(8) . . ?
C30 C25 Co2 131.2(11) . . ?
C27 C26 C25 108.2(13) . . ?
C27 C26 C31 127.2(15) . . ?
C25 C26 C31 124.3(15) . . ?
C27 C26 Co2 71.0(8) . . ?
C25 C26 Co2 70.5(8) . . ?
C31 C26 Co2 128.6(10) . . ?
C26 C27 C23 107.8(12) . . ?
C26 C27 C32 127.1(13) . . ?
C23 C27 C32 124.7(14) . . ?
C26 C27 Co2 69.5(9) . . ?
C23 C27 Co2 68.2(7) . . ?
C32 C27 Co2 133.4(10) . . ?
B17 B20 B15 106.9(13) . . ?
B17 B20 B19 106.6(13) . . ?
B15 B20 B19 59.4(11) . . ?
B17 B20 B18 58.8(6) . . ?
B15 B20 B18 106.3(14) . . ?
B19 B20 B18 59.5(11) . . ?
B17 B20 B16 58.6(6) . . ?
B15 B20 B16 60.7(11) . . ?
B19 B20 B16 107.4(14) . . ?
B18 B20 B16 105.5(10) . . ?
B37 B38 B33 109.7(12) . . ?
B37 B38 B40 59.4(11) . . ?
B33 B38 B40 107.7(12) . . ?
B37 B38 B39 110.1(12) . . ?
B33 B38 B39 60.5(11) . . ?
B40 B38 B39 60.7(11) . . ?
B37 B38 B32 59.4(10) . . ?
B33 B38 B32 61.4(11) . . ?
B40 B38 B32 106.0(13) . . ?
B39 B38 B32 109.7(13) . . ?
B20 B17 B18 63.2(10) . . ?
B20 B17 B16 63.8(11) . . ?
B18 B17 B16 113.0(12) . . ?
B20 B17 B12 111.6(12) . . ?
B18 B17 B12 61.5(10) . . ?
B16 B17 B12 106.4(11) . . ?
B20 B17 B11 108.5(11) . . ?
B18 B17 B11 107.7(11) . . ?
B16 B17 B11 57.1(9) . . ?
B12 B17 B11 57.7(9) . . ?
B31 B37 B40 105.9(14) . . ?
B31 B37 B32 58.0(10) . . ?
B40 B37 B32 108.0(11) . . ?
B31 B37 B38 106.6(12) . . ?
B40 B37 B38 60.6(7) . . ?
B32 B37 B38 60.8(6) . . ?
B31 B37 B36 59.5(10) . . ?
B40 B37 B36 58.3(11) . . ?
B32 B37 B36 106.0(14) . . ?
B38 B37 B36 106.8(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 C2 1.962(17) . ?
W1 C1 1.981(15) . ?
W1 S3 2.369(4) . ?
W1 S4 2.380(4) . ?
W1 S2 2.490(4) . ?
W1 S1 2.505(4) . ?
W1 Co1 2.648(2) . ?
W2 C17 1.973(18) . ?
W2 C18 1.974(18) . ?
W2 S8 2.372(4) . ?
W2 S7 2.376(4) . ?
W2 S6 2.487(4) . ?
W2 S5 2.500(4) . ?
W2 Co2 2.652(2) . ?
Co1 C11 2.061(13) . ?
Co1 C7 2.072(13) . ?
Co1 C9 2.076(15) . ?
Co1 C8 2.108(14) . ?
Co1 C10 2.116(14) . ?
Co1 S1 2.237(4) . ?
Co1 S2 2.253(4) . ?
Co2 C23 2.075(15) . ?
Co2 C26 2.083(14) . ?
Co2 C25 2.095(13) . ?
Co2 C24 2.096(14) . ?
Co2 C27 2.103(13) . ?
Co2 S6 2.239(4) . ?
Co2 S5 2.246(4) . ?
O1 C1 1.154(16) . ?
O2 C2 1.182(16) . ?
O3 C17 1.143(16) . ?
O4 C18 1.166(18) . ?
S1 C3 1.821(15) . ?
S2 C4 1.832(14) . ?
S3 C5 1.772(15) . ?
S4 C6 1.805(14) . ?
S5 C19 1.808(14) . ?
S6 C20 1.826(15) . ?
S7 C21 1.788(14) . ?
S8 C22 1.797(15) . ?
B1 B7 1.69(3) . ?
B1 C4 1.72(2) . ?
B1 C3 1.74(2) . ?
B1 B2 1.74(3) . ?
B1 B6 1.75(3) . ?
B2 C3 1.69(2) . ?
B2 B7 1.77(3) . ?
B2 B3 1.78(3) . ?
B2 B8 1.78(3) . ?
B3 C3 1.69(2) . ?
B3 B4 1.76(3) . ?
B3 B8 1.76(3) . ?
B3 B9 1.82(3) . ?
B4 C3 1.72(2) . ?
B4 B9 1.73(3) . ?
B4 C4 1.74(2) . ?
B4 B5 1.81(3) . ?
B5 C4 1.69(2) . ?
B5 B6 1.74(3) . ?
B5 B10 1.74(3) . ?
B5 B9 1.80(3) . ?
B6 C4 1.72(2) . ?
B6 B10 1.73(3) . ?
B6 B7 1.74(3) . ?
B7 B10 1.75(3) . ?
B7 B8 1.76(3) . ?
B8 B10 1.78(3) . ?
B8 B9 1.79(3) . ?
B9 B10 1.77(3) . ?
B11 B16 1.68(2) . ?
B11 B12 1.70(2) . ?
B11 C6 1.70(2) . ?
B11 C5 1.73(2) . ?
B11 B17 1.765(9) . ?
B12 B17 1.759(10) . ?
B12 C5 1.76(2) . ?
B12 B18 1.79(3) . ?
B12 B13 1.81(3) . ?
B13 C5 1.72(2) . ?
B13 B14 1.74(3) . ?
B13 B19 1.76(3) . ?
B13 B18 1.77(2) . ?
B14 C5 1.73(2) . ?
B14 B19 1.74(3) . ?
B14 B15 1.76(3) . ?
B14 C6 1.77(2) . ?
B15 C6 1.69(2) . ?
B15 B19 1.76(3) . ?
B15 B20 1.76(3) . ?
B15 B16 1.82(3) . ?
B16 C6 1.69(2) . ?
B16 B17 1.752(10) . ?
B16 B20 1.84(3) . ?
B18 B17 1.745(10) . ?
B18 B19 1.79(3) . ?
B18 B20 1.82(3) . ?
B19 B20 1.79(3) . ?
B21 C20 1.72(2) . ?
B21 C19 1.73(2) . ?
B21 B22 1.75(3) . ?
B21 B26 1.75(3) . ?
B21 B27 1.76(3) . ?
B22 B28 1.73(3) . ?
B22 C19 1.74(2) . ?
B22 B23 1.77(3) . ?
B22 B27 1.78(3) . ?
B23 B28 1.70(3) . ?
B23 C19 1.71(2) . ?
B23 B29 1.74(3) . ?
B23 B24 1.76(3) . ?
B24 B29 1.68(3) . ?
B24 B25 1.68(3) . ?
B24 C20 1.70(2) . ?
B24 C19 1.71(2) . ?
B25 C20 1.70(2) . ?
B25 B29 1.76(3) . ?
B25 B30 1.80(3) . ?
B25 B26 1.83(3) . ?
B26 C20 1.70(2) . ?
B26 B30 1.76(3) . ?
B26 B27 1.79(3) . ?
B27 B30 1.70(3) . ?
B27 B28 1.79(3) . ?
B28 B29 1.71(3) . ?
B28 B30 1.80(4) . ?
B29 B30 1.80(3) . ?
B31 B32 1.67(3) . ?
B31 C21 1.68(2) . ?
B31 B37 1.70(3) . ?
B31 C22 1.73(2) . ?
B31 B36 1.76(2) . ?
B32 C21 1.69(2) . ?
B32 B37 1.73(3) . ?
B32 B38 1.757(10) . ?
B32 B33 1.79(3) . ?
B33 C21 1.72(2) . ?
B33 B38 1.743(10) . ?
B33 B39 1.76(3) . ?
B33 B34 1.76(3) . ?
B34 C22 1.74(2) . ?
B34 C21 1.75(2) . ?
B34 B35 1.75(3) . ?
B34 B39 1.76(3) . ?
B35 C22 1.65(2) . ?
B35 B36 1.73(3) . ?
B35 B40 1.77(3) . ?
B35 B39 1.81(3) . ?
B36 C22 1.64(2) . ?
B36 B40 1.74(3) . ?
B36 B37 1.84(3) . ?
B39 B38 1.751(10) . ?
B39 B40 1.77(3) . ?
B40 B37 1.73(3) . ?
B40 B38 1.747(10) . ?
C3 C4 1.63(2) . ?
C5 C6 1.65(2) . ?
C7 C11 1.388(19) . ?
C7 C8 1.411(18) . ?
C7 C12 1.474(18) . ?
C8 C9 1.43(2) . ?
C8 C13 1.478(19) . ?
C9 C10 1.45(2) . ?
C9 C14 1.505(17) . ?
C10 C11 1.446(18) . ?
C10 C15 1.51(2) . ?
C11 C16 1.523(18) . ?
C19 C20 1.642(19) . ?
C21 C22 1.621(18) . ?
C23 C24 1.425(18) . ?
C23 C28 1.448(18) . ?
C23 C27 1.482(18) . ?
C24 C25 1.428(19) . ?
C24 C29 1.512(18) . ?
C25 C26 1.423(19) . ?
C25 C30 1.51(2) . ?
C26 C27 1.41(2) . ?
C26 C31 1.497(19) . ?
C27 C32 1.513(18) . ?
B20 B17 1.732(10) . ?
B38 B37 1.738(10) . ?
