#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:14:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178641 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/52/4075208.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_4075208
loop_
_publ_author_name
'Lu, Xiu Lian'
'McGrath, Thomas D.'
'Stone, F. Gordon A.'
_publ_section_title
;
 Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane
 Anions Containing Multiple Metal Centers
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2590
_journal_paper_doi               10.1021/om060123d
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C44 H38 B8 Co3 Cu O7 P2'
_chemical_formula_weight         1067.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.534(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.317(5)
_cell_length_b                   17.027(6)
_cell_length_c                   21.905(8)
_cell_measurement_reflns_used    7707
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.39
_cell_volume                     4965(3)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2003)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2003)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2003)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 2001)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'Bruker SHELXTL (Bruker, 2001)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX 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  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            52626
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.19
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.022
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         10918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0436P)²+4.1052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.1019
_reflns_number_gt                7971
_reflns_number_total             10918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060123dsi20060207_101029.cif
_cod_data_source_block           13
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               4075208
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Co1 Co 0.20225(3) 0.59738(2) 1.097399(17) 0.02579(11) Uani 1 1 d .
C11 C 0.3124(3) 0.58316(17) 1.04413(13) 0.0257(7) Uani 1 1 d .
O11 O 0.39370(18) 0.55865(13) 1.05003(10) 0.0331(5) Uani 1 1 d .
C12 C 0.1880(3) 0.4952(2) 1.11257(14) 0.0319(8) Uani 1 1 d .
O12 O 0.1780(2) 0.43063(14) 1.12512(11) 0.0420(6) Uani 1 1 d .
Co2 Co 0.22651(3) 0.63386(2) 0.984764(16) 0.01990(10) Uani 1 1 d .
C21 C 0.3074(2) 0.70894(18) 0.95951(13) 0.0257(7) Uani 1 1 d .
O21 O 0.36927(19) 0.75199(13) 0.94556(11) 0.0388(6) Uani 1 1 d .
C22 C 0.0980(3) 0.60593(17) 0.97281(13) 0.0244(7) Uani 1 1 d .
O22 O 0.01670(18) 0.58689(13) 0.96491(10) 0.0332(5) Uani 1 1 d .
Co6 Co 0.23465(4) 0.73770(3) 1.138222(18) 0.03060(12) Uani 1 1 d .
C61 C 0.2712(3) 0.7670(2) 1.21391(16) 0.0470(10) Uani 1 1 d .
O61 O 0.2971(3) 0.79153(18) 1.25979(12) 0.0715(10) Uani 1 1 d .
C62 C 0.3537(3) 0.7581(2) 1.10639(15) 0.0369(8) Uani 1 1 d .
O62 O 0.4279(2) 0.77452(17) 1.08561(13) 0.0523(7) Uani 1 1 d .
C63 C 0.2751(3) 0.6155(2) 1.16670(15) 0.0401(9) Uani 1 1 d .
O63 O 0.3250(3) 0.59685(15) 1.20785(11) 0.0586(9) Uani 1 1 d .
C1 C 0.0346(3) 0.8248(2) 1.16091(15) 0.0424(10) Uani 1 1 d .
H1 H -0.004(3) 0.853(2) 1.1861(18) 0.051 Uiso 1 1 d .
B2 B 0.1481(4) 0.8453(2) 1.14440(17) 0.0361(10) Uani 1 1 d .
H2 H 0.185(3) 0.894(2) 1.1690(16) 0.043 Uiso 1 1 d .
B3 B 0.0860(4) 0.7426(2) 1.17795(17) 0.0381(10) Uani 1 1 d .
H3 H 0.080(3) 0.719(2) 1.2266(16) 0.046 Uiso 1 1 d .
B4 B -0.0112(4) 0.7558(2) 1.11884(17) 0.0358(9) Uani 1 1 d .
H4 H -0.085(3) 0.736(2) 1.1175(16) 0.043 Uiso 1 1 d .
B5 B 0.0443(3) 0.8460(2) 1.08958(17) 0.0330(9) Uani 1 1 d .
H5 H 0.006(3) 0.895(2) 1.0719(15) 0.040 Uiso 1 1 d .
B7 B 0.0889(3) 0.6865(2) 1.11046(15) 0.0291(8) Uani 1 1 d .
H7 H 0.070(2) 0.6180(19) 1.1139(15) 0.035 Uiso 1 1 d .
B8 B 0.0567(3) 0.7559(2) 1.04986(16) 0.0261(8) Uani 1 1 d .
H8 H 0.013(2) 0.7498(19) 1.0092(15) 0.031 Uiso 1 1 d .
B9 B 0.1669(3) 0.8155(2) 1.06840(15) 0.0262(8) Uani 1 1 d .
H9 H 0.208(2) 0.8550(19) 1.0349(14) 0.031 Uiso 1 1 d .
B10 B 0.1739(3) 0.7091(2) 1.05425(14) 0.0230(7) Uani 1 1 d .
Cu1 Cu 0.15411(3) 0.76777(2) 0.966079(16) 0.02649(10) Uani 1 1 d .
P1 P 0.11349(6) 0.84860(4) 0.88910(3) 0.02354(18) Uani 1 1 d .
C111 C 0.1637(2) 0.94840(17) 0.89562(13) 0.0245(7) Uani 1 1 d .
C112 C 0.1609(3) 0.98731(18) 0.95132(14) 0.0294(7) Uani 1 1 d .
H112 H 0.1317 0.9622 0.9853 0.035 Uiso 1 1 calc R
C113 C 0.1999(3) 1.06204(19) 0.95794(15) 0.0357(8) Uani 1 1 d .
H113 H 0.1974 1.0881 0.9962 0.043 Uiso 1 1 calc R
C114 C 0.2425(3) 1.0990(2) 0.90874(16) 0.0396(9) Uani 1 1 d .
H114 H 0.2695 1.1504 0.9133 0.047 Uiso 1 1 calc R
C115 C 0.2460(3) 1.0613(2) 0.85325(16) 0.0430(9) Uani 1 1 d .
H115 H 0.2755 1.0867 0.8195 0.052 Uiso 1 1 calc R
C116 C 0.2065(3) 0.98656(19) 0.84644(14) 0.0350(8) Uani 1 1 d .
H116 H 0.2086 0.9611 0.8079 0.042 Uiso 1 1 calc R
C121 C -0.0220(2) 0.85810(18) 0.88395(12) 0.0254(7) Uani 1 1 d .
C122 C -0.0717(3) 0.92955(19) 0.87866(14) 0.0316(8) Uani 1 1 d .
H122 H -0.0347 0.9772 0.8783 0.038 Uiso 1 1 calc R
C123 C -0.1760(3) 0.9311(2) 0.87390(16) 0.0406(9) Uani 1 1 d .
H123 H -0.2102 0.9799 0.8704 0.049 Uiso 1 1 calc R
C124 C -0.2300(3) 0.8619(2) 0.87417(15) 0.0412(9) Uani 1 1 d .
H124 H -0.3013 0.8633 0.8707 0.049 Uiso 1 1 calc R
C125 C -0.1814(3) 0.7906(2) 0.87944(14) 0.0357(8) Uani 1 1 d .
H125 H -0.2189 0.7431 0.8796 0.043 Uiso 1 1 calc R
C126 C -0.0782(3) 0.78850(19) 0.88440(13) 0.0303(7) Uani 1 1 d .
H126 H -0.0447 0.7394 0.8882 0.036 Uiso 1 1 calc R
C131 C 0.1471(3) 0.81904(17) 0.81203(13) 0.0277(7) Uani 1 1 d .
C132 C 0.2428(3) 0.79019(19) 0.80258(15) 0.0323(8) Uani 1 1 d .
H132 H 0.2884 0.7834 0.8363 0.039 Uiso 1 1 calc R
C133 C 0.2723(3) 0.7712(2) 0.74397(15) 0.0382(8) Uani 1 1 d .
H133 H 0.3379 0.7514 0.7376 0.046 Uiso 1 1 calc R
C134 C 0.2059(3) 0.7812(2) 0.69488(15) 0.0392(9) Uani 1 1 d .
H134 H 0.2261 0.7686 0.6548 0.047 Uiso 1 1 calc R
C135 C 0.1113(3) 0.8093(2) 0.70403(14) 0.0363(8) Uani 1 1 d .
H135 H 0.0660 0.8158 0.6702 0.044 Uiso 1 1 calc R
C136 C 0.0807(3) 0.82841(18) 0.76247(13) 0.0300(7) Uani 1 1 d .
H136 H 0.0148 0.8478 0.7685 0.036 Uiso 1 1 calc R
P2 P 0.26802(6) 0.54578(4) 0.91374(3) 0.02034(16) Uani 1 1 d .
C211 C 0.1732(2) 0.53689(18) 0.85241(13) 0.0240(6) Uani 1 1 d .
C212 C 0.1423(3) 0.46510(19) 0.82788(14) 0.0327(8) Uani 1 1 d .
H212 H 0.1715 0.4178 0.8428 0.039 Uiso 1 1 calc R
C213 C 0.0692(3) 0.4624(2) 0.78190(15) 0.0405(9) Uani 1 1 d .
H213 H 0.0487 0.4132 0.7653 0.049 Uiso 1 1 calc R
C214 C 0.0261(3) 0.5308(2) 0.76009(15) 0.0379(8) Uani 1 1 d .
H214 H -0.0246 0.5286 0.7288 0.045 Uiso 1 1 calc R
C215 C 0.0561(3) 0.6026(2) 0.78359(15) 0.0366(8) Uani 1 1 d .
H215 H 0.0269 0.6497 0.7682 0.044 Uiso 1 1 calc R
C216 C 0.1288(3) 0.60542(18) 0.82944(14) 0.0294(7) Uani 1 1 d .
H216 H 0.1491 0.6548 0.8457 0.035 Uiso 1 1 calc R
C221 C 0.2804(2) 0.44573(16) 0.94329(12) 0.0206(6) Uani 1 1 d .
C222 C 0.1975(3) 0.40925(18) 0.96796(14) 0.0292(7) Uani 1 1 d .
H222 H 0.1347 0.4358 0.9680 0.035 Uiso 1 1 calc R
C223 C 0.2056(3) 0.33457(19) 0.99251(15) 0.0317(7) Uani 1 1 d .
H223 H 0.1482 0.3101 1.0090 0.038 Uiso 1 1 calc R
C224 C 0.2961(3) 0.29528(18) 0.99322(13) 0.0298(7) Uani 1 1 d .
H224 H 0.3013 0.2440 1.0101 0.036 Uiso 1 1 calc R
C225 C 0.3789(3) 0.33132(18) 0.96915(13) 0.0291(7) Uani 1 1 d .
H225 H 0.4417 0.3048 0.9698 0.035 Uiso 1 1 calc R
C226 C 0.3715(2) 0.40636(17) 0.94389(13) 0.0253(7) Uani 1 1 d .
H226 H 0.4289 0.4305 0.9271 0.030 Uiso 1 1 calc R
C231 C 0.3845(2) 0.56055(16) 0.87348(12) 0.0218(6) Uani 1 1 d .
C232 C 0.3938(3) 0.53468(18) 0.81336(14) 0.0285(7) Uani 1 1 d .
H232 H 0.3374 0.5126 0.7922 0.034 Uiso 1 1 calc R
C233 C 0.4839(3) 0.54103(19) 0.78469(14) 0.0336(8) Uani 1 1 d .
H233 H 0.4899 0.5222 0.7441 0.040 Uiso 1 1 calc R
C234 C 0.5663(3) 0.57474(19) 0.81465(15) 0.0315(8) Uani 1 1 d .
H234 H 0.6282 0.5797 0.7945 0.038 Uiso 1 1 calc R
C235 C 0.5580(2) 0.60094(19) 0.87356(14) 0.0304(7) Uani 1 1 d .
H235 H 0.6141 0.6245 0.8940 0.036 Uiso 1 1 calc R
C236 C 0.4678(2) 0.59308(18) 0.90321(14) 0.0269(7) Uani 1 1 d .
H236 H 0.4631 0.6102 0.9443 0.032 Uiso 1 1 calc R
C100 C -0.5074(4) 0.8649(5) 0.8591(2) 0.090(2) Uani 1 1 d .
C101 C -0.512(2) 0.961(2) 0.9749(10) 0.37(2) Uani 1 1 d .
C102 C -0.4505(5) 1.0087(4) 0.9192(3) 0.0911(19) Uani 1 1 d .
C103 C -0.5266(8) 0.9275(7) 0.9041(6) 0.158(4) 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
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'
P P 0.1023 0.0942 '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'
Cu Cu 0.3201 1.2651 '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_3
C12 Co1 C63 93.89(16) .
C12 Co1 H7 92.4(11) .
C63 Co1 H7 107.3(10) .
C12 Co1 C11 94.44(14) .
C63 Co1 C11 97.53(16) .
H7 Co1 C11 153.7(10) .
C12 Co1 B10 157.85(15) .
C63 Co1 B10 107.54(15) .
H7 Co1 B10 76.2(10) .
C11 Co1 B10 88.40(13) .
C12 Co1 B7 125.55(15) .
C63 Co1 B7 97.45(15) .
H7 Co1 B7 33.5(10) .
C11 Co1 B7 135.87(13) .
B10 Co1 B7 47.49(13) .
C12 Co1 Co2 115.55(10) .
C63 Co1 Co2 133.34(13) .
H7 Co1 Co2 106.7(10) .
C11 Co1 Co2 47.78(9) .
B10 Co1 Co2 52.47(9) .
B7 Co1 Co2 93.64(9) .
C12 Co1 Co6 148.85(10) .
C63 Co1 Co6 57.98(11) .
H7 Co1 Co6 84.7(10) .
C11 Co1 Co6 101.79(9) .
B10 Co1 Co6 50.23(9) .
B7 Co1 Co6 54.31(11) .
Co2 Co1 Co6 94.85(2) .
O11 C11 Co1 134.7(2) .
O11 C11 Co2 140.7(2) .
Co1 C11 Co2 84.46(14) .
O12 C12 Co1 176.7(3) .
C21 Co2 C22 137.22(14) .
C21 Co2 C11 100.41(14) .
C22 Co2 C11 122.10(14) .
C21 Co2 B10 90.17(14) .
C22 Co2 B10 86.15(14) .
C11 Co2 B10 89.29(13) .
C21 Co2 P2 95.91(10) .
C22 Co2 P2 88.47(9) .
C11 Co2 P2 90.91(9) .
B10 Co2 P2 173.77(10) .
C21 Co2 Cu1 61.71(10) .
C22 Co2 Cu1 81.69(9) .
C11 Co2 Cu1 137.88(9) .
B10 Co2 Cu1 55.58(9) .
P2 Co2 Cu1 126.64(3) .
C21 Co2 Co1 124.56(10) .
C22 Co2 Co1 86.09(9) .
C11 Co2 Co1 47.77(10) .
B10 Co2 Co1 53.56(9) .
P2 Co2 Co1 122.94(3) .
Cu1 Co2 Co1 108.588(19) .
O21 C21 Co2 171.7(3) .
O21 C21 Cu1 112.7(2) .
Co2 C21 Cu1 75.21(12) .
O22 C22 Co2 178.8(3) .
C62 Co6 C61 94.90(19) .
C62 Co6 B10 91.65(15) .
C61 Co6 B10 172.35(18) .
C62 Co6 B2 109.80(17) .
C61 Co6 B2 80.70(16) .
B10 Co6 B2 93.38(14) .
C62 Co6 B3 166.57(16) .
C61 Co6 B3 81.19(19) .
B10 Co6 B3 91.54(15) .
B2 Co6 B3 56.97(16) .
C62 Co6 B7 139.18(14) .
C61 Co6 B7 125.73(17) .
B10 Co6 B7 48.17(13) .
B2 Co6 B7 83.45(16) .
B3 Co6 B7 47.39(14) .
C62 Co6 B9 87.88(15) .
C61 Co6 B9 125.02(15) .
B10 Co6 B9 51.21(13) .
B2 Co6 B9 47.63(13) .
B3 Co6 B9 83.97(15) .
B7 Co6 B9 72.78(14) .
C62 Co6 C63 94.64(15) .
C61 Co6 C63 86.74(15) .
B10 Co6 C63 96.67(13) .
B2 Co6 C63 153.27(15) .
B3 Co6 C63 97.95(15) .
B7 Co6 C63 84.96(14) .
B9 Co6 C63 147.87(13) .
C62 Co6 Co1 100.79(11) .
C61 Co6 Co1 128.19(12) .
B10 Co6 Co1 53.93(9) .
B2 Co6 Co1 135.90(13) .
B3 Co6 Co1 91.62(11) .
B7 Co6 Co1 53.08(9) .
B9 Co6 Co1 104.76(10) .
C63 Co6 Co1 43.29(10) .
O61 C61 Co6 174.0(4) .
O62 C62 Co6 176.9(3) .
O63 C63 Co1 153.8(3) .
O63 C63 Co6 127.3(3) .
Co1 C63 Co6 78.74(13) .
B3 C1 B2 80.9(3) .
B3 C1 B4 69.3(3) .
B2 C1 B4 112.1(3) .
B3 C1 B5 112.1(3) .
B2 C1 B5 68.4(3) .
B4 C1 B5 69.3(2) .
C1 B2 B9 108.0(3) .
C1 B2 B5 56.1(2) .
B9 B2 B5 60.0(2) .
C1 B2 B3 49.5(2) .
B9 B2 B3 99.2(2) .
B5 B2 B3 86.3(3) .
C1 B2 Co6 109.7(2) .
B9 B2 Co6 67.04(17) .
B5 B2 Co6 111.2(2) .
B3 B2 Co6 61.87(16) .
C1 B3 B7 107.3(3) .
C1 B3 B4 55.5(2) .
B7 B3 B4 60.1(2) .
C1 B3 B2 49.6(2) .
B7 B3 B2 98.2(2) .
B4 B3 B2 85.8(2) .
C1 B3 Co6 109.1(3) .
B7 B3 Co6 66.72(19) .
B4 B3 Co6 110.8(2) .
B2 B3 Co6 61.16(17) .
C1 B4 B8 107.0(3) .
C1 B4 B7 105.6(3) .
B8 B4 B7 61.2(2) .
C1 B4 B3 55.2(2) .
B8 B4 B3 103.7(3) .
B7 B4 B3 58.3(2) .
C1 B4 B5 55.6(2) .
B8 B4 B5 58.8(2) .
B7 B4 B5 102.0(3) .
B3 B4 B5 93.8(3) .
C1 B5 B8 107.1(3) .
C1 B5 B9 106.6(3) .
B8 B5 B9 61.6(2) .
C1 B5 B2 55.5(2) .
B8 B5 B2 104.0(3) .
B9 B5 B2 58.8(2) .
C1 B5 B4 55.2(2) .
B8 B5 B4 59.3(2) .
B9 B5 B4 103.2(3) .
B2 B5 B4 94.1(3) .
H7 B7 B10 113.9(16) .
H7 B7 B3 117.8(16) .
B10 B7 B3 120.2(3) .
H7 B7 B4 118.3(16) .
B10 B7 B4 115.2(3) .
B3 B7 B4 61.6(2) .
H7 B7 B8 129.2(16) .
B10 B7 B8 58.97(19) .
B3 B7 B8 104.5(2) .
B4 B7 B8 59.1(2) .
H7 B7 Co1 58.4(16) .
B10 B7 Co1 65.93(16) .
B3 B7 Co1 121.5(3) .
B4 B7 Co1 176.1(3) .
B8 B7 Co1 120.7(2) .
H7 B7 Co6 123.9(16) .
B10 B7 Co6 61.37(17) .
B3 B7 Co6 65.9(2) .
B4 B7 Co6 111.3(2) .
B8 B7 Co6 97.7(2) .
Co1 B7 Co6 72.61(13) .
H8 B8 B10 117.9(18) .
H8 B8 B5 116.4(18) .
B10 B8 B5 117.4(3) .
H8 B8 B4 116.1(18) .
B10 B8 B4 115.1(3) .
B5 B8 B4 61.9(2) .
H8 B8 B7 131.7(18) .
B10 B8 B7 58.19(19) .
B5 B8 B7 103.1(2) .
B4 B8 B7 59.7(2) .
H8 B8 B9 131.5(18) .
B10 B8 B9 61.9(2) .
B5 B8 B9 59.6(2) .
B4 B8 B9 103.6(3) .
B7 B8 B9 91.5(2) .
H8 B8 Cu1 68.8(18) .
B10 B8 Cu1 63.90(15) .
B5 B8 Cu1 112.3(2) .
B4 B8 Cu1 173.4(3) .
B7 B8 Cu1 121.0(2) .
B9 B8 Cu1 70.02(16) .
H9 B9 B2 121.2(16) .
H9 B9 B5 116.9(16) .
B2 B9 B5 61.2(2) .
H9 B9 B8 125.6(16) .
B2 B9 B8 103.7(3) .
B5 B9 B8 58.9(2) .
H9 B9 B10 116.3(16) .
B2 B9 B10 116.8(2) .
B5 B9 B10 112.4(3) .
B8 B9 B10 57.21(19) .
H9 B9 Co6 127.2(16) .
B2 B9 Co6 65.32(17) .
B5 B9 Co6 110.8(2) .
B8 B9 Co6 97.62(19) .
B10 B9 Co6 60.16(14) .
H9 B9 Cu1 67.8(16) .
B2 B9 Cu1 167.4(3) .
B5 B9 Cu1 107.5(2) .
B8 B9 Cu1 64.15(15) .
B10 B9 Cu1 60.61(14) .
Co6 B9 Cu1 117.76(15) .
B7 B10 B8 62.8(2) .
B7 B10 B9 93.6(2) .
B8 B10 B9 60.8(2) .
B7 B10 Co6 70.46(18) .
B8 B10 Co6 105.7(2) .
B9 B10 Co6 68.64(15) .
B7 B10 Co2 127.4(2) .
B8 B10 Co2 123.0(2) .
B9 B10 Co2 137.2(2) .
Co6 B10 Co2 131.12(18) .
B7 B10 Co1 66.58(16) .
B8 B10 Co1 124.8(2) .
B9 B10 Co1 143.6(2) .
Co6 B10 Co1 75.84(11) .
Co2 B10 Co1 73.98(11) .
B7 B10 Cu1 131.5(2) .
B8 B10 Cu1 69.97(16) .
B9 B10 Cu1 72.16(15) .
Co6 B10 Cu1 136.16(17) .
Co2 B10 Cu1 71.12(10) .
Co1 B10 Cu1 143.88(16) .
H8 Cu1 B10 68.4(9) .
H8 Cu1 H9 93.8(12) .
B10 Cu1 H9 71.1(8) .
H8 Cu1 P1 103.0(9) .
B10 Cu1 P1 166.22(9) .
H9 Cu1 P1 99.7(8) .
H8 Cu1 C21 139.4(9) .
B10 Cu1 C21 76.58(12) .
H9 Cu1 C21 93.6(8) .
P1 Cu1 C21 114.97(8) .
H8 Cu1 B8 27.3(9) .
B10 Cu1 B8 46.13(13) .
H9 Cu1 B8 72.2(8) .
P1 Cu1 B8 122.01(10) .
C21 Cu1 B8 122.69(12) .
H8 Cu1 B9 71.1(9) .
B10 Cu1 B9 47.24(12) .
H9 Cu1 B9 28.5(8) .
P1 Cu1 B9 120.63(9) .
C21 Cu1 B9 99.64(12) .
B8 Cu1 B9 45.84(14) .
H8 Cu1 Co2 97.8(9) .
B10 Cu1 Co2 53.31(9) .
H9 Cu1 Co2 112.4(8) .
P1 Cu1 Co2 140.28(3) .
C21 Cu1 Co2 43.08(8) .
B8 Cu1 Co2 90.72(9) .
B9 Cu1 Co2 98.00(8) .
C121 P1 C131 103.59(15) .
C121 P1 C111 106.42(14) .
C131 P1 C111 103.29(14) .
C121 P1 Cu1 108.84(10) .
C131 P1 Cu1 117.87(11) .
C111 P1 Cu1 115.66(10) .
C112 C111 C116 118.5(3) .
C112 C111 P1 119.5(2) .
C116 C111 P1 121.9(2) .
C113 C112 C111 120.8(3) .
C112 C113 C114 119.9(3) .
C115 C114 C113 120.0(3) .
C114 C115 C116 120.1(3) .
C115 C116 C111 120.5(3) .
C122 C121 C126 119.1(3) .
C122 C121 P1 123.8(3) .
C126 C121 P1 117.1(2) .
C121 C122 C123 119.8(3) .
C124 C123 C122 120.2(3) .
C125 C124 C123 120.5(4) .
C126 C125 C124 119.7(3) .
C125 C126 C121 120.7(3) .
C132 C131 C136 119.5(3) .
C132 C131 P1 118.9(2) .
C136 C131 P1 121.5(3) .
C131 C132 C133 120.2(3) .
C134 C133 C132 119.9(3) .
C135 C134 C133 120.0(3) .
C134 C135 C136 120.6(3) .
C131 C136 C135 119.7(3) .
C231 P2 C211 103.69(14) .
C231 P2 C221 103.31(13) .
C211 P2 C221 103.72(14) .
C231 P2 Co2 118.20(10) .
C211 P2 Co2 112.81(10) .
C221 P2 Co2 113.54(9) .
C212 C211 C216 118.5(3) .
C212 C211 P2 123.2(2) .
C216 C211 P2 118.3(2) .
C213 C212 C211 120.4(3) .
C214 C213 C212 120.2(3) .
C213 C214 C215 120.3(3) .
C216 C215 C214 119.6(3) .
C215 C216 C211 121.1(3) .
C226 C221 C222 119.0(3) .
C226 C221 P2 121.6(2) .
C222 C221 P2 119.3(2) .
C223 C222 C221 120.5(3) .
C224 C223 C222 120.6(3) .
C223 C224 C225 119.2(3) .
C224 C225 C226 120.7(3) .
C221 C226 C225 119.9(3) .
C236 C231 C232 118.6(3) .
C236 C231 P2 120.6(2) .
C232 C231 P2 120.7(2) .
C233 C232 C231 120.4(3) .
C232 C233 C234 120.4(3) .
C235 C234 C233 119.8(3) .
C234 C235 C236 120.1(3) .
C231 C236 C235 120.7(3) .
C103 C101 C102 62.5(10) .
C103 C101 C101 149(3) 3_477
C102 C101 C101 90(3) 3_477
C101 C102 C103 57.6(9) .
C100 C103 C101 148.5(13) .
C100 C103 C102 126.1(8) .
C101 C103 C102 59.9(14) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C12 1.782(3) .
Co1 C63 1.806(4) .
Co1 H7 1.84(3) .
Co1 C11 1.914(3) .
Co1 B10 2.154(3) .
Co1 B7 2.164(4) .
Co1 Co2 2.5731(10) .
Co1 Co6 2.5833(10) .
C11 O11 1.164(4) .
C11 Co2 1.914(3) .
C12 O12 1.143(4) .
Co2 C21 1.770(3) .
Co2 C22 1.789(4) .
Co2 B10 2.123(3) .
Co2 P2 2.2408(9) .
Co2 Cu1 2.5049(9) .
C21 O21 1.151(4) .
C21 Cu1 2.281(3) .
C22 O22 1.138(4) .
Co6 C62 1.784(4) .
Co6 C61 1.786(4) .
Co6 B10 2.048(3) .
Co6 B2 2.170(4) .
Co6 B3 2.185(5) .
Co6 B7 2.199(4) .
Co6 B9 2.199(3) .
Co6 C63 2.233(3) .
C61 O61 1.133(4) .
C62 O62 1.134(5) .
C63 O63 1.151(4) .
C1 B3 1.599(5) .
C1 B2 1.602(6) .
C1 B4 1.604(6) .
C1 B5 1.612(5) .
B2 B9 1.764(5) .
B2 B5 1.806(6) .
B2 B3 2.077(6) .
B3 B7 1.761(5) .
B3 B4 1.820(6) .
B4 B8 1.781(5) .
B4 B7 1.793(5) .
B4 B5 1.828(6) .
B5 B8 1.773(5) .
B5 B9 1.785(6) .
B7 H7 1.20(3) .
B7 B10 1.739(5) .
B7 B8 1.820(5) .
B8 H8 1.05(3) .
B8 B10 1.753(5) .
B8 B9 1.821(6) .
B8 Cu1 2.285(3) .
B9 H9 1.15(3) .
B9 B10 1.840(5) .
B9 Cu1 2.386(3) .
B10 Cu1 2.184(3) .
Cu1 H8 2.14(3) .
Cu1 H9 2.22(3) .
Cu1 P1 2.2319(10) .
P1 C121 1.812(3) .
P1 C131 1.829(3) .
P1 C111 1.830(3) .
C111 C112 1.390(4) .
C111 C116 1.393(4) .
C112 C113 1.381(5) .
C113 C114 1.383(5) .
C114 C115 1.376(5) .
C115 C116 1.384(5) .
C121 C122 1.389(4) .
C121 C126 1.402(4) .
C122 C123 1.389(5) .
C123 C124 1.381(5) .
C124 C125 1.380(5) .
C125 C126 1.375(5) .
C131 C132 1.387(5) .
C131 C136 1.390(4) .
C132 C133 1.390(4) .
C133 C134 1.384(5) .
C134 C135 1.368(5) .
C135 C136 1.392(4) .
P2 C231 1.823(3) .
P2 C211 1.826(3) .
P2 C221 1.828(3) .
C211 C212 1.393(4) .
C211 C216 1.396(4) .
C212 C213 1.382(5) .
C213 C214 1.379(5) .
C214 C215 1.381(5) .
C215 C216 1.377(5) .
C221 C226 1.387(4) .
C221 C222 1.389(4) .
C222 C223 1.384(4) .
C223 C224 1.378(5) .
C224 C225 1.380(5) .
C225 C226 1.395(4) .
C231 C236 1.386(4) .
C231 C232 1.397(4) .
C232 C233 1.374(5) .
C233 C234 1.387(5) .
C234 C235 1.372(4) .
C235 C236 1.387(4) .
C100 C103 1.478(13) .
C101 C103 1.66(2) .
C101 C102 1.70(4) .
C101 C101 1.76(6) 3_477
C102 C103 1.740(13) .
