#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:10:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179234 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/54/4315438.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_4315438
loop_
_publ_author_name
'M. Sircoglou'
'S. Bontemps'
'M. Mercy'
'K. Miqueu'
'S. Ladeira'
'N. Saffon'
'L. Maron'
'G. Bouhadir'
'D. Bourissou'
_publ_section_title
;
 Copper(I) Complexes derived from Mono- and Diphosphino-Boranes:
 Cu\\rightarrowB Interactions Supported by Arene Coordination
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3983
_journal_page_last               3990
_journal_paper_doi               10.1021/ic901896z
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H41 B Cl Cu P2'
_chemical_formula_sum            'C30 H41 B Cl Cu P2'
_chemical_formula_weight         573.38
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-03-24T13:25:51-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.002(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.0047(5)
_cell_length_b                   16.1217(5)
_cell_length_c                   20.3657(7)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.62
_cell_measurement_wavelength     0.71073
_cell_volume                     5911.5(3)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2009)'
_computing_data_reduction        'XPREP (Bruker AXS, 2009)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker X8 kappa APEXII CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            195147
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1
_exptl_absorpt_coefficient_mu    0.955
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER AXS - SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details
;
 Flack H D (1983), Acta Cryst. A39, 876-881, 13524 Friedel pairs.
 The crystal contains 2 twin domains. See _refine_special_details.
 Flack parameter x for twin domain 1 is 0.491(5).
 Flack parameter x for twin domain 2 is 0.479(5).
;
_refine_ls_abs_structure_Flack   0.491(5)/0.479(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1296
_refine_ls_number_reflns         28128
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0318
_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)+(0.0363P)²+1.9654P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                25671
_reflns_number_total             28128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901896z_si_005.cif
_cod_data_source_block           aa01gy4n
_cod_database_code               4315438
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.20583(7) 0.55930(7) 0.00123(5) 0.0217(2) Uani 1 1 d . . .
Cu1 Cu 0.14090(3) 0.61384(3) 0.08536(3) 0.01531(11) Uani 1 1 d . . .
B101 B 0.0633(3) 0.7307(3) 0.1260(2) 0.0145(10) Uani 1 1 d . . .
P101 P 0.22158(7) 0.66276(6) 0.16217(6) 0.0147(2) Uani 1 1 d . . .
P102 P 0.02848(6) 0.55385(6) 0.09208(5) 0.0130(2) Uani 1 1 d . . .
C101 C 0.0956(3) 0.7476(3) 0.1975(2) 0.0175(9) Uani 1 1 d . . .
C102 C 0.1674(3) 0.7253(3) 0.2193(2) 0.0197(10) Uani 1 1 d . . .
C103 C 0.1924(3) 0.7447(3) 0.2830(2) 0.0237(10) Uani 1 1 d . . .
H103 H 0.2411 0.7292 0.2961 0.028 Uiso 1 1 calc R . .
C104 C 0.1468(3) 0.7860(3) 0.3265(2) 0.0314(12) Uani 1 1 d . . .
H104 H 0.1632 0.7987 0.3697 0.038 Uiso 1 1 calc R . .
C105 C 0.0757(3) 0.8086(3) 0.3054(3) 0.0311(12) Uani 1 1 d . . .
H105 H 0.0439 0.8374 0.3348 0.037 Uiso 1 1 calc R . .
C106 C 0.0509(3) 0.7906(3) 0.2440(2) 0.0241(11) Uani 1 1 d . . .
H106 H 0.0022 0.8072 0.2318 0.029 Uiso 1 1 calc R . .
C111 C -0.0215(3) 0.7092(3) 0.1145(2) 0.0156(9) Uani 1 1 d . . .
C112 C -0.0454(2) 0.6304(2) 0.0925(2) 0.0142(9) Uani 1 1 d . . .
C113 C -0.1195(2) 0.6163(3) 0.0765(2) 0.0188(9) Uani 1 1 d . . .
H113 H -0.1344 0.563 0.0616 0.023 Uiso 1 1 calc R . .
C114 C -0.1717(3) 0.6784(3) 0.0817(2) 0.0259(11) Uani 1 1 d . . .
H114 H -0.222 0.6683 0.0704 0.031 Uiso 1 1 calc R . .
C115 C -0.1499(3) 0.7551(3) 0.1036(2) 0.0236(11) Uani 1 1 d . . .
H115 H -0.1854 0.7984 0.1074 0.028 Uiso 1 1 calc R . .
C116 C -0.0760(3) 0.7700(3) 0.1203(2) 0.0213(10) Uani 1 1 d . . .
H116 H -0.0625 0.8233 0.1362 0.026 Uiso 1 1 calc R . .
C121 C 0.1037(2) 0.7697(2) 0.0648(2) 0.0138(9) Uani 1 1 d . . .
C122 C 0.0887(3) 0.7433(3) 0.0004(2) 0.0196(10) Uani 1 1 d . . .
H122 H 0.0557 0.6983 -0.007 0.024 Uiso 1 1 calc R . .
C123 C 0.1221(3) 0.7830(3) -0.0527(2) 0.0228(10) Uani 1 1 d . . .
H123 H 0.1129 0.7636 -0.096 0.027 Uiso 1 1 calc R . .
C124 C 0.1677(3) 0.8490(3) -0.0432(3) 0.0284(11) Uani 1 1 d . . .
H124 H 0.1904 0.875 -0.0799 0.034 Uiso 1 1 calc R . .
C125 C 0.1815(3) 0.8790(3) 0.0198(3) 0.0309(12) Uani 1 1 d . . .
H125 H 0.2126 0.9259 0.0262 0.037 Uiso 1 1 calc R . .
C126 C 0.1494(3) 0.8397(3) 0.0729(2) 0.0215(10) Uani 1 1 d . . .
H126 H 0.1583 0.8604 0.1158 0.026 Uiso 1 1 calc R . .
C131 C 0.2966(3) 0.7341(3) 0.1334(2) 0.0227(10) Uani 1 1 d . . .
H131 H 0.2743 0.7684 0.0975 0.027 Uiso 1 1 calc R . .
C132 C 0.3620(2) 0.6867(2) 0.1021(2) 0.0311(9) Uani 1 1 d . . .
H13A H 0.3973 0.7263 0.0833 0.047 Uiso 1 1 calc R . .
H13B H 0.3432 0.6501 0.0674 0.047 Uiso 1 1 calc R . .
H13C H 0.3869 0.6533 0.1358 0.047 Uiso 1 1 calc R . .
C133 C 0.3254(2) 0.7944(3) 0.1841(2) 0.0369(10) Uani 1 1 d . . .
H13D H 0.3469 0.7636 0.2209 0.055 Uiso 1 1 calc R . .
H13E H 0.2844 0.829 0.1999 0.055 Uiso 1 1 calc R . .
H13F H 0.3635 0.8298 0.1642 0.055 Uiso 1 1 calc R . .
C141 C 0.2692(3) 0.5813(3) 0.2127(2) 0.0191(10) Uani 1 1 d . . .
H141 H 0.3099 0.6081 0.2384 0.023 Uiso 1 1 calc R . .
C142 C 0.3036(3) 0.5140(3) 0.1681(2) 0.0324(12) Uani 1 1 d . . .
H14A H 0.3308 0.4739 0.1951 0.049 Uiso 1 1 calc R . .
H14B H 0.3379 0.54 0.1369 0.049 Uiso 1 1 calc R . .
H14C H 0.2641 0.4854 0.144 0.049 Uiso 1 1 calc R . .
C143 C 0.2162(3) 0.5399(3) 0.2600(2) 0.0301(10) Uani 1 1 d . . .
H14D H 0.1763 0.5127 0.2353 0.045 Uiso 1 1 calc R . .
H14E H 0.1949 0.5816 0.2894 0.045 Uiso 1 1 calc R . .
H14F H 0.2431 0.4984 0.2859 0.045 Uiso 1 1 calc R . .
C151 C 0.0039(3) 0.4791(3) 0.0276(2) 0.0203(10) Uani 1 1 d . . .
H151 H -0.0478 0.4591 0.0361 0.024 Uiso 1 1 calc R . .
C152 C 0.0565(3) 0.4037(3) 0.0302(2) 0.0232(11) Uani 1 1 d . . .
H15A H 0.0452 0.366 -0.0062 0.035 Uiso 1 1 calc R . .
H15B H 0.0497 0.3744 0.072 0.035 Uiso 1 1 calc R . .
H15C H 0.1081 0.4226 0.0266 0.035 Uiso 1 1 calc R . .
C153 C 0.0051(3) 0.5203(3) -0.0394(2) 0.0238(11) Uani 1 1 d . . .
H15D H 0.0556 0.5391 -0.0493 0.036 Uiso 1 1 calc R . .
H15E H -0.0287 0.5681 -0.0393 0.036 Uiso 1 1 calc R . .
H15F H -0.011 0.4805 -0.0728 0.036 Uiso 1 1 calc R . .
C161 C 0.0141(3) 0.4968(2) 0.1703(2) 0.0161(9) Uani 1 1 d . . .
H161 H 0.0559 0.4563 0.1753 0.019 Uiso 1 1 calc R . .
C162 C -0.0587(3) 0.4476(3) 0.1711(2) 0.0231(10) Uani 1 1 d . . .
H16A H -0.0633 0.4179 0.2129 0.035 Uiso 1 1 calc R . .
H16B H -0.0588 0.4077 0.1348 0.035 Uiso 1 1 calc R . .
H16C H -0.1007 0.4858 0.1661 0.035 Uiso 1 1 calc R . .
C163 C 0.0180(3) 0.5571(3) 0.2278(2) 0.0172(9) Uani 1 1 d . . .
H16D H -0.0229 0.597 0.2246 0.026 Uiso 1 1 calc R . .
H16E H 0.0655 0.5868 0.2267 0.026 Uiso 1 1 calc R . .
H16F H 0.0139 0.5263 0.2692 0.026 Uiso 1 1 calc R . .
Cl2 Cl 0.70480(7) 0.78530(7) 0.49887(5) 0.0215(2) Uani 1 1 d . . .
Cu2 Cu 0.64110(3) 0.72918(3) 0.41321(3) 0.01498(12) Uani 1 1 d . . .
B201 B 0.5643(3) 0.6115(3) 0.3693(3) 0.0167(10) Uani 1 1 d . . .
P201 P 0.72017(7) 0.67933(6) 0.33718(6) 0.0149(2) Uani 1 1 d . . .
P202 P 0.52751(7) 0.78743(7) 0.40400(5) 0.0140(2) Uani 1 1 d . . .
C201 C 0.5929(2) 0.5970(3) 0.2969(2) 0.0148(9) Uani 1 1 d . . .
C202 C 0.6643(2) 0.6229(2) 0.2770(2) 0.0152(9) Uani 1 1 d . . .
C203 C 0.6876(3) 0.6061(3) 0.2128(2) 0.0234(10) Uani 1 1 d . . .
H203 H 0.7356 0.6234 0.1992 0.028 Uiso 1 1 calc R . .
C204 C 0.6421(3) 0.5646(3) 0.1685(2) 0.0273(11) Uani 1 1 d . . .
H204 H 0.659 0.5539 0.1251 0.033 Uiso 1 1 calc R . .
C205 C 0.5722(3) 0.5389(3) 0.1877(2) 0.0254(11) Uani 1 1 d . . .
H205 H 0.541 0.5098 0.158 0.031 Uiso 1 1 calc R . .
C206 C 0.5477(3) 0.5564(3) 0.2521(2) 0.0226(10) Uani 1 1 d . . .
H206 H 0.4991 0.5401 0.265 0.027 Uiso 1 1 calc R . .
C211 C 0.4784(3) 0.6314(3) 0.3828(2) 0.0141(9) Uani 1 1 d . . .
C212 C 0.4550(2) 0.7102(3) 0.4041(2) 0.0141(9) Uani 1 1 d . . .
C213 C 0.3805(3) 0.7233(3) 0.4229(2) 0.0204(10) Uani 1 1 d . . .
H213 H 0.3649 0.7763 0.4379 0.024 Uiso 1 1 calc R . .
C214 C 0.3302(3) 0.6580(3) 0.4193(2) 0.0228(10) Uani 1 1 d . . .
H214 H 0.2799 0.6663 0.4319 0.027 Uiso 1 1 calc R . .
C215 C 0.3533(3) 0.5811(3) 0.3973(2) 0.0266(11) Uani 1 1 d . . .
H215 H 0.3187 0.5367 0.3944 0.032 Uiso 1 1 calc R . .
C216 C 0.4263(3) 0.5684(3) 0.3797(2) 0.0205(10) Uani 1 1 d . . .
H216 H 0.4412 0.515 0.365 0.025 Uiso 1 1 calc R . .
C221 C 0.6040(3) 0.5681(3) 0.4298(2) 0.0178(9) Uani 1 1 d . . .
C222 C 0.5937(3) 0.5931(3) 0.4950(2) 0.0194(10) Uani 1 1 d . . .
H222 H 0.5616 0.6384 0.5041 0.023 Uiso 1 1 calc R . .
C223 C 0.6294(3) 0.5530(3) 0.5474(2) 0.0262(11) Uani 1 1 d . . .
H223 H 0.6243 0.5731 0.591 0.031 Uiso 1 1 calc R . .
C224 C 0.6732(3) 0.4825(3) 0.5341(3) 0.0267(11) Uani 1 1 d . . .
H224 H 0.6964 0.4538 0.5693 0.032 Uiso 1 1 calc R . .
C225 C 0.6825(3) 0.4553(3) 0.4722(3) 0.0264(11) Uani 1 1 d . . .
H225 H 0.7117 0.4074 0.464 0.032 Uiso 1 1 calc R . .
C226 C 0.6490(3) 0.4977(3) 0.4193(2) 0.0205(10) Uani 1 1 d . . .
H226 H 0.6569 0.4785 0.3758 0.025 Uiso 1 1 calc R . .
C231 C 0.7934(3) 0.6043(3) 0.3621(2) 0.0203(10) Uani 1 1 d . . .
H231 H 0.768 0.5491 0.3632 0.024 Uiso 1 1 calc R . .
C232 C 0.8205(2) 0.6185(2) 0.43199(17) 0.0254(8) Uani 1 1 d . . .
H23A H 0.8522 0.5721 0.4455 0.038 Uiso 1 1 calc R . .
H23B H 0.7778 0.6224 0.4616 0.038 Uiso 1 1 calc R . .
H23C H 0.8491 0.6702 0.4339 0.038 Uiso 1 1 calc R . .
C233 C 0.8564(2) 0.5941(2) 0.31342(19) 0.0288(9) Uani 1 1 d . . .
H23D H 0.8843 0.6461 0.3103 0.043 Uiso 1 1 calc R . .
H23E H 0.8361 0.5798 0.2702 0.043 Uiso 1 1 calc R . .
H23F H 0.8896 0.5497 0.3283 0.043 Uiso 1 1 calc R . .
C241 C 0.7697(3) 0.7616(3) 0.2909(2) 0.0184(10) Uani 1 1 d . . .
H241 H 0.8001 0.7349 0.2556 0.022 Uiso 1 1 calc R . .
C242 C 0.8220(3) 0.8080(3) 0.3374(2) 0.0301(11) Uani 1 1 d . . .
H24A H 0.8437 0.8556 0.3145 0.045 Uiso 1 1 calc R . .
H24B H 0.8617 0.7706 0.3518 0.045 Uiso 1 1 calc R . .
H24C H 0.7941 0.8275 0.3757 0.045 Uiso 1 1 calc R . .
C243 C 0.7136(3) 0.8209(3) 0.2585(2) 0.0290(10) Uani 1 1 d . . .
H24D H 0.6796 0.8425 0.2919 0.043 Uiso 1 1 calc R . .
H24E H 0.6853 0.7908 0.225 0.043 Uiso 1 1 calc R . .
H24F H 0.7403 0.867 0.2379 0.043 Uiso 1 1 calc R . .
C251 C 0.5044(3) 0.8626(3) 0.4688(2) 0.0178(9) Uani 1 1 d . . .
H251 H 0.452 0.8811 0.4616 0.021 Uiso 1 1 calc R . .
C252 C 0.5544(3) 0.9387(3) 0.4639(3) 0.0266(11) Uani 1 1 d . . .
H25A H 0.5398 0.9792 0.4974 0.04 Uiso 1 1 calc R . .
H25B H 0.5492 0.9637 0.4202 0.04 Uiso 1 1 calc R . .
H25C H 0.6062 0.9222 0.4709 0.04 Uiso 1 1 calc R . .
C253 C 0.5087(3) 0.8224(3) 0.5363(2) 0.0252(11) Uani 1 1 d . . .
H25D H 0.5602 0.8068 0.5456 0.038 Uiso 1 1 calc R . .
H25E H 0.4773 0.7728 0.5371 0.038 Uiso 1 1 calc R . .
H25F H 0.4914 0.8618 0.5696 0.038 Uiso 1 1 calc R . .
C261 C 0.5099(3) 0.8444(3) 0.3266(2) 0.0193(9) Uani 1 1 d . . .
H261 H 0.5505 0.8863 0.3215 0.023 Uiso 1 1 calc R . .
C262 C 0.4356(3) 0.8919(3) 0.3253(2) 0.0237(10) Uani 1 1 d . . .
H26A H 0.4271 0.9144 0.2812 0.036 Uiso 1 1 calc R . .
H26B H 0.4373 0.9375 0.3571 0.036 Uiso 1 1 calc R . .
H26C H 0.395 0.8541 0.3368 0.036 Uiso 1 1 calc R . .
C263 C 0.5133(3) 0.7865(3) 0.2667(2) 0.0232(11) Uani 1 1 d . . .
H26D H 0.475 0.7435 0.2709 0.035 Uiso 1 1 calc R . .
H26E H 0.5623 0.7603 0.2645 0.035 Uiso 1 1 calc R . .
H26F H 0.5045 0.8186 0.2266 0.035 Uiso 1 1 calc R . .
Cl3 Cl 0.80816(6) 0.28089(6) 0.49595(5) 0.0185(2) Uani 1 1 d . . .
Cu3 Cu 0.87124(3) 0.21557(3) 0.41553(3) 0.01442(11) Uani 1 1 d . . .
B301 B 0.9369(3) 0.0978(3) 0.3757(3) 0.0179(11) Uani 1 1 d . . .
P301 P 0.98592(7) 0.27025(7) 0.40049(6) 0.0143(2) Uani 1 1 d . . .
P302 P 0.79230(7) 0.19283(7) 0.33022(5) 0.0220(2) Uani 1 1 d . . .
C301 C 1.0247(3) 0.1114(3) 0.3832(2) 0.0185(9) Uani 1 1 d . . .
C302 C 1.0547(3) 0.1890(3) 0.4006(2) 0.0149(9) Uani 1 1 d . . .
C303 C 1.1314(3) 0.1991(3) 0.4127(2) 0.0216(10) Uani 1 1 d . . .
H303 H 1.1502 0.2515 0.4263 0.026 Uiso 1 1 calc R . .
C304 C 1.1784(2) 0.1337(3) 0.4047(2) 0.0259(9) Uani 1 1 d . . .
H304 H 1.2303 0.1409 0.4107 0.031 Uiso 1 1 calc R . .
C305 C 1.1500(2) 0.0562(3) 0.3878(2) 0.0310(10) Uani 1 1 d . . .
H305 H 1.1827 0.0103 0.3833 0.037 Uiso 1 1 calc R . .
C306 C 1.0750(2) 0.0456(3) 0.3775(2) 0.0268(10) Uani 1 1 d . . .
H306 H 1.0569 -0.0079 0.3663 0.032 Uiso 1 1 calc R . .
C311 C 0.9019(3) 0.0764(3) 0.3058(2) 0.0188(9) Uani 1 1 d . . .
C312 C 0.8340(3) 0.1089(3) 0.2825(2) 0.0209(9) Uani 1 1 d . . .
C313 C 0.8038(3) 0.0841(3) 0.2212(2) 0.0284(10) Uani 1 1 d . . .
H313 H 0.7581 0.1069 0.2064 0.034 Uiso 1 1 calc R . .
C314 C 0.8412(3) 0.0267(3) 0.1830(2) 0.0391(14) Uani 1 1 d . . .
H314 H 0.8215 0.0095 0.142 0.047 Uiso 1 1 calc R . .
C315 C 0.9077(3) -0.0051(3) 0.2055(2) 0.0392(15) Uani 1 1 d . . .
H315 H 0.9329 -0.045 0.1794 0.047 Uiso 1 1 calc R . .
C316 C 0.9392(3) 0.0189(3) 0.2647(2) 0.0304(12) Uani 1 1 d . . .
H316 H 0.9858 -0.0033 0.2778 0.037 Uiso 1 1 calc R . .
C321 C 0.8976(3) 0.0724(2) 0.4413(2) 0.0181(10) Uani 1 1 d . . .
C322 C 0.8405(3) 0.0131(3) 0.4407(2) 0.0211(10) Uani 1 1 d . . .
H322 H 0.8233 -0.0072 0.3996 0.025 Uiso 1 1 calc R . .
C323 C 0.8084(3) -0.0169(3) 0.4973(2) 0.0285(11) Uani 1 1 d . . .
H323 H 0.7698 -0.0569 0.4954 0.034 Uiso 1 1 calc R . .
C324 C 0.8338(3) 0.0128(3) 0.5573(2) 0.0285(12) Uani 1 1 d . . .
H324 H 0.813 -0.0084 0.5968 0.034 Uiso 1 1 calc R . .
C325 C 0.8887(3) 0.0725(3) 0.5608(2) 0.0275(11) Uani 1 1 d . . .
H325 H 0.9032 0.0951 0.6019 0.033 Uiso 1 1 calc R . .
C326 C 0.9224(3) 0.0987(3) 0.5030(2) 0.0195(10) Uani 1 1 d . . .
H326 H 0.9634 0.1357 0.5055 0.023 Uiso 1 1 calc R . .
C331 C 1.0142(3) 0.3490(3) 0.4616(2) 0.0185(9) Uani 1 1 d . . .
H331 H 1.0659 0.3674 0.4512 0.022 Uiso 1 1 calc R . .
C332 C 1.0137(3) 0.3118(3) 0.5308(2) 0.0237(10) Uani 1 1 d . . .
H33A H 1.0303 0.3537 0.5624 0.036 Uiso 1 1 calc R . .
H33B H 1.0473 0.264 0.5323 0.036 Uiso 1 1 calc R . .
H33C H 0.9632 0.2939 0.5419 0.036 Uiso 1 1 calc R . .
C333 C 0.9625(3) 0.4240(3) 0.4562(2) 0.0279(11) Uani 1 1 d . . .
H33D H 0.9108 0.4057 0.461 0.042 Uiso 1 1 calc R . .
H33E H 0.969 0.4503 0.4132 0.042 Uiso 1 1 calc R . .
H33F H 0.9745 0.4639 0.4909 0.042 Uiso 1 1 calc R . .
C341 C 1.0033(2) 0.3214(2) 0.3199(2) 0.0166(9) Uani 1 1 d . . .
H341 H 0.9613 0.3605 0.3113 0.02 Uiso 1 1 calc R . .
C342 C 1.0038(3) 0.2568(3) 0.2653(2) 0.0186(9) Uani 1 1 d . . .
H34A H 1.0046 0.2847 0.2226 0.028 Uiso 1 1 calc R . .
H34B H 0.9592 0.2223 0.2686 0.028 Uiso 1 1 calc R . .
H34C H 1.048 0.2218 0.2696 0.028 Uiso 1 1 calc R . .
C343 C 1.0759(2) 0.3717(2) 0.3185(2) 0.0197(9) Uani 1 1 d . . .
H34D H 1.1172 0.3365 0.333 0.03 Uiso 1 1 calc R . .
H34E H 1.0714 0.4195 0.3479 0.03 Uiso 1 1 calc R . .
H34F H 1.0854 0.3911 0.2737 0.03 Uiso 1 1 calc R . .
C351 C 0.6929(2) 0.1683(3) 0.33216(19) 0.0322(9) Uani 1 1 d . . .
H351 H 0.6747 0.1636 0.2859 0.039 Uiso 1 1 calc R . .
C352 C 0.6485(2) 0.2362(3) 0.3668(2) 0.0485(13) Uani 1 1 d . . .
H35A H 0.5965 0.2189 0.3706 0.073 Uiso 1 1 calc R . .
H35B H 0.6514 0.2876 0.3413 0.073 Uiso 1 1 calc R . .
H35C H 0.6691 0.2455 0.4107 0.073 Uiso 1 1 calc R . .
C353 C 0.6822(3) 0.0856(3) 0.3658(2) 0.0443(13) Uani 1 1 d . . .
H35D H 0.7017 0.0885 0.4106 0.067 Uiso 1 1 calc R . .
H35E H 0.7087 0.0424 0.3413 0.067 Uiso 1 1 calc R . .
H35F H 0.6291 0.0722 0.3672 0.067 Uiso 1 1 calc R . .
C361 C 0.7989(2) 0.2882(2) 0.27515(19) 0.0274(8) Uani 1 1 d . . .
H361 H 0.8504 0.288 0.2566 0.033 Uiso 1 1 calc R . .
C362 C 0.7929(2) 0.3675(2) 0.3170(2) 0.0341(9) Uani 1 1 d . . .
H36A H 0.8027 0.4161 0.2894 0.051 Uiso 1 1 calc R . .
H36B H 0.8294 0.3654 0.3527 0.051 Uiso 1 1 calc R . .
H36C H 0.7428 0.3716 0.3355 0.051 Uiso 1 1 calc R . .
C363 C 0.7468(3) 0.2928(3) 0.2166(2) 0.0503(13) Uani 1 1 d . . .
H36D H 0.6952 0.2899 0.2319 0.076 Uiso 1 1 calc R . .
H36E H 0.7567 0.2462 0.1869 0.076 Uiso 1 1 calc R . .
H36F H 0.7547 0.3451 0.1932 0.076 Uiso 1 1 calc R . .
Cl4 Cl 0.31010(6) 0.04834(6) 0.01088(5) 0.0199(2) Uani 1 1 d . . .
Cu4 Cu 0.37265(3) 0.11983(3) 0.08958(3) 0.01512(11) Uani 1 1 d . . .
B401 B 0.4397(3) 0.2494(3) 0.1151(3) 0.0156(10) Uani 1 1 d . . .
P401 P 0.48995(6) 0.07383(7) 0.10443(5) 0.0135(2) Uani 1 1 d . . .
P402 P 0.29013(6) 0.17321(6) 0.16115(5) 0.0163(2) Uani 1 1 d . . .
C401 C 0.5256(3) 0.2356(3) 0.1034(2) 0.0160(9) Uani 1 1 d . . .
C402 C 0.5564(2) 0.1565(3) 0.0932(2) 0.0155(9) Uani 1 1 d . . .
C403 C 0.6307(3) 0.1464(3) 0.0753(2) 0.0193(9) Uani 1 1 d . . .
H403 H 0.6507 0.0924 0.0692 0.023 Uiso 1 1 calc R . .
C404 C 0.6753(2) 0.2163(2) 0.0664(2) 0.0247(9) Uani 1 1 d . . .
H404 H 0.7258 0.2102 0.0539 0.03 Uiso 1 1 calc R . .
C405 C 0.6454(2) 0.2946(2) 0.0760(2) 0.0277(9) Uani 1 1 d . . .
H405 H 0.6756 0.3421 0.0688 0.033 Uiso 1 1 calc R . .
C406 C 0.5723(2) 0.3051(2) 0.0960(2) 0.0228(9) Uani 1 1 d . . .
H406 H 0.5538 0.3591 0.1047 0.027 Uiso 1 1 calc R . .
C411 C 0.4100(3) 0.2754(2) 0.1850(2) 0.0198(9) Uani 1 1 d . . .
C412 C 0.3423(3) 0.2490(3) 0.2108(2) 0.0207(10) Uani 1 1 d . . .
C413 C 0.3181(3) 0.2743(3) 0.2725(2) 0.0278(10) Uani 1 1 d . . .
H413 H 0.2711 0.2569 0.2886 0.033 Uiso 1 1 calc R . .
C414 C 0.3636(3) 0.3258(3) 0.3109(2) 0.0334(12) Uani 1 1 d . . .
H414 H 0.3475 0.3434 0.3531 0.04 Uiso 1 1 calc R . .
C415 C 0.4307(3) 0.3505(3) 0.2876(2) 0.0312(11) Uani 1 1 d . . .
H415 H 0.4622 0.3836 0.3142 0.037 Uiso 1 1 calc R . .
C416 C 0.4536(3) 0.3277(3) 0.2253(2) 0.0272(11) Uani 1 1 d . . .
H416 H 0.4998 0.3476 0.2092 0.033 Uiso 1 1 calc R . .
C421 C 0.3962(2) 0.2730(3) 0.0506(2) 0.0151(9) Uani 1 1 d . . .
C422 C 0.3444(3) 0.3386(3) 0.0498(2) 0.0223(10) Uani 1 1 d . . .
H422 H 0.3305 0.3637 0.0902 0.027 Uiso 1 1 calc R . .
C423 C 0.3129(3) 0.3676(3) -0.0078(2) 0.0256(11) Uani 1 1 d . . .
H423 H 0.2797 0.4134 -0.0064 0.031 Uiso 1 1 calc R . .
C424 C 0.3292(3) 0.3308(3) -0.0670(2) 0.0239(10) Uani 1 1 d . . .
H424 H 0.3059 0.3495 -0.1061 0.029 Uiso 1 1 calc R . .
C425 C 0.3809(3) 0.2649(3) -0.0692(2) 0.0209(9) Uani 1 1 d . . .
H425 H 0.393 0.2392 -0.1097 0.025 Uiso 1 1 calc R . .
C426 C 0.4138(2) 0.2383(3) -0.0109(2) 0.0175(9) Uani 1 1 d . . .
H426 H 0.4496 0.195 -0.0128 0.021 Uiso 1 1 calc R . .
C431 C 0.5170(3) -0.0107(3) 0.0490(2) 0.0169(9) Uani 1 1 d . . .
H431 H 0.5699 -0.0255 0.0581 0.02 Uiso 1 1 calc R . .
C432 C 0.5108(3) 0.0164(3) -0.0224(2) 0.0212(10) Uani 1 1 d . . .
H43A H 0.532 -0.0265 -0.0509 0.032 Uiso 1 1 calc R . .
H43B H 0.5379 0.0685 -0.0287 0.032 Uiso 1 1 calc R . .
H43C H 0.4584 0.0247 -0.0337 0.032 Uiso 1 1 calc R . .
C433 C 0.4689(3) -0.0870(3) 0.0619(2) 0.0246(10) Uani 1 1 d . . .
H43D H 0.4164 -0.0718 0.0585 0.037 Uiso 1 1 calc R . .
H43E H 0.4791 -0.1082 0.1061 0.037 Uiso 1 1 calc R . .
H43F H 0.4805 -0.13 0.0294 0.037 Uiso 1 1 calc R . .
C441 C 0.5128(2) 0.0331(3) 0.1879(2) 0.0193(9) Uani 1 1 d . . .
H441 H 0.4743 -0.0093 0.1992 0.023 Uiso 1 1 calc R . .
C442 C 0.5079(3) 0.1020(3) 0.2395(2) 0.0244(10) Uani 1 1 d . . .
H44A H 0.5121 0.0778 0.2834 0.037 Uiso 1 1 calc R . .
H44B H 0.4601 0.1306 0.2354 0.037 Uiso 1 1 calc R . .
H44C H 0.5484 0.1417 0.2326 0.037 Uiso 1 1 calc R . .
C443 C 0.5894(3) -0.0103(3) 0.1914(2) 0.0258(10) Uani 1 1 d . . .
H44D H 0.6279 0.0277 0.1757 0.039 Uiso 1 1 calc R . .
H44E H 0.5887 -0.0601 0.1639 0.039 Uiso 1 1 calc R . .
H44F H 0.5999 -0.0259 0.237 0.039 Uiso 1 1 calc R . .
C451 C 0.2101(2) 0.2308(2) 0.1267(2) 0.0221(8) Uani 1 1 d . . .
H451 H 0.2314 0.2635 0.0895 0.027 Uiso 1 1 calc R . .
C452 C 0.1769(2) 0.2954(3) 0.1725(2) 0.0309(9) Uani 1 1 d . . .
H45A H 0.1377 0.3259 0.1495 0.046 Uiso 1 1 calc R . .
H45B H 0.2158 0.3341 0.1865 0.046 Uiso 1 1 calc R . .
H45C H 0.1559 0.2678 0.2112 0.046 Uiso 1 1 calc R . .
C453 C 0.1500(2) 0.1777(3) 0.0956(2) 0.0363(10) Uani 1 1 d . . .
H45D H 0.1238 0.1467 0.1298 0.054 Uiso 1 1 calc R . .
H45E H 0.1728 0.1387 0.0646 0.054 Uiso 1 1 calc R . .
H45F H 0.1148 0.2134 0.0722 0.054 Uiso 1 1 calc R . .
C461 C 0.25091(18) 0.0971(2) 0.22009(18) 0.0199(7) Uani 1 1 d . . .
H461 H 0.2105 0.1249 0.2455 0.024 Uiso 1 1 calc R . .
C462 C 0.3112(2) 0.0683(3) 0.2687(2) 0.0332(10) Uani 1 1 d . . .
H46A H 0.289 0.0316 0.3016 0.05 Uiso 1 1 calc R . .
H46B H 0.333 0.1167 0.2905 0.05 Uiso 1 1 calc R . .
H46C H 0.3501 0.0383 0.2448 0.05 Uiso 1 1 calc R . .
C463 C 0.2178(3) 0.0219(2) 0.1848(2) 0.0388(11) Uani 1 1 d . . .
H46D H 0.2546 -0.0011 0.1543 0.058 Uiso 1 1 calc R . .
H46E H 0.1735 0.039 0.1602 0.058 Uiso 1 1 calc R . .
H46F H 0.204 -0.0204 0.2171 0.058 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 0 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P102 Cu1 Cl1 110.22(5) . . ?
P102 Cu1 P101 133.01(5) . . ?
Cl1 Cu1 P101 109.07(5) . . ?
P102 Cu1 B101 78.44(13) . . ?
Cl1 Cu1 B101 147.16(12) . . ?
P101 Cu1 B101 82.39(13) . . ?
C121 B101 C111 114.6(4) . . ?
C121 B101 C101 119.1(4) . . ?
C111 B101 C101 121.7(4) . . ?
C121 B101 Cu1 77.3(2) . . ?
C111 B101 Cu1 109.1(3) . . ?
C101 B101 Cu1 103.2(3) . . ?
C102 P101 C131 104.3(2) . . ?
C102 P101 C141 106.4(2) . . ?
C131 P101 C141 105.8(2) . . ?
C102 P101 Cu1 106.80(16) . . ?
C131 P101 Cu1 117.31(15) . . ?
C141 P101 Cu1 115.20(15) . . ?
C112 P102 C151 105.8(2) . . ?
C112 P102 C161 103.31(19) . . ?
C151 P102 C161 104.8(2) . . ?
C112 P102 Cu1 111.60(14) . . ?
C151 P102 Cu1 117.12(16) . . ?
C161 P102 Cu1 112.99(15) . . ?
C102 C101 C106 115.6(4) . . ?
C102 C101 B101 125.3(4) . . ?
C106 C101 B101 119.0(4) . . ?
C103 C102 C101 121.7(4) . . ?
C103 C102 P101 122.7(4) . . ?
C101 C102 P101 115.4(3) . . ?
C104 C103 C102 120.6(5) . . ?
C104 C103 H103 119.7 . . ?
C102 C103 H103 119.7 . . ?
C103 C104 C105 118.2(4) . . ?
C103 C104 H104 120.9 . . ?
C105 C104 H104 120.9 . . ?
C106 C105 C104 121.9(5) . . ?
C106 C105 H105 119.1 . . ?
C104 C105 H105 119.1 . . ?
C105 C106 C101 122.0(5) . . ?
C105 C106 H106 119 . . ?
C101 C106 H106 119 . . ?
C116 C111 C112 116.4(4) . . ?
C116 C111 B101 120.9(4) . . ?
C112 C111 B101 122.4(4) . . ?
C113 C112 C111 120.8(4) . . ?
C113 C112 P102 126.2(3) . . ?
C111 C112 P102 112.9(3) . . ?
C114 C113 C112 121.1(4) . . ?
C114 C113 H113 119.4 . . ?
C112 C113 H113 119.4 . . ?
C115 C114 C113 119.1(5) . . ?
C115 C114 H114 120.5 . . ?
C113 C114 H114 120.5 . . ?
C114 C115 C116 120.5(4) . . ?
C114 C115 H115 119.7 . . ?
C116 C115 H115 119.7 . . ?
C111 C116 C115 122.1(4) . . ?
C111 C116 H116 119 . . ?
C115 C116 H116 119 . . ?
C126 C121 C122 117.7(4) . . ?
C126 C121 B101 119.9(4) . . ?
C122 C121 B101 121.9(4) . . ?
C123 C122 C121 120.2(4) . . ?
C123 C122 H122 119.9 . . ?
C121 C122 H122 119.9 . . ?
C124 C123 C122 120.7(5) . . ?
C124 C123 H123 119.7 . . ?
C122 C123 H123 119.7 . . ?
C123 C124 C125 120.7(5) . . ?
C123 C124 H124 119.6 . . ?
C125 C124 H124 119.6 . . ?
C126 C125 C124 119.1(5) . . ?
C126 C125 H125 120.4 . . ?
C124 C125 H125 120.4 . . ?
C125 C126 C121 121.5(5) . . ?
C125 C126 H126 119.3 . . ?
C121 C126 H126 119.3 . . ?
C133 C131 C132 109.9(4) . . ?
C133 C131 P101 115.4(3) . . ?
C132 C131 P101 112.1(3) . . ?
C133 C131 H131 106.3 . . ?
C132 C131 H131 106.3 . . ?
P101 C131 H131 106.3 . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C143 C141 C142 108.5(4) . . ?
C143 C141 P101 111.7(3) . . ?
C142 C141 P101 110.7(3) . . ?
C143 C141 H141 108.6 . . ?
C142 C141 H141 108.6 . . ?
P101 C141 H141 108.6 . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C153 C151 C152 111.6(4) . . ?
C153 C151 P102 110.6(3) . . ?
C152 C151 P102 110.1(3) . . ?
C153 C151 H151 108.1 . . ?
C152 C151 H151 108.1 . . ?
P102 C151 H151 108.1 . . ?
C151 C152 H15A 109.5 . . ?
C151 C152 H15B 109.5 . . ?
H15A C152 H15B 109.5 . . ?
C151 C152 H15C 109.5 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C151 C153 H15D 109.5 . . ?
C151 C153 H15E 109.5 . . ?
H15D C153 H15E 109.5 . . ?
C151 C153 H15F 109.5 . . ?
H15D C153 H15F 109.5 . . ?
H15E C153 H15F 109.5 . . ?
C163 C161 C162 111.2(4) . . ?
C163 C161 P102 109.7(3) . . ?
C162 C161 P102 112.6(3) . . ?
C163 C161 H161 107.7 . . ?
C162 C161 H161 107.7 . . ?
P102 C161 H161 107.7 . . ?
C161 C162 H16A 109.5 . . ?
C161 C162 H16B 109.5 . . ?
H16A C162 H16B 109.5 . . ?
C161 C162 H16C 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
C161 C163 H16D 109.5 . . ?
C161 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C161 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 109.5 . . ?
P201 Cu2 P202 131.60(5) . . ?
P201 Cu2 Cl2 110.52(5) . . ?
P202 Cu2 Cl2 110.78(5) . . ?
P201 Cu2 B201 80.44(13) . . ?
P202 Cu2 B201 77.64(12) . . ?
Cl2 Cu2 B201 148.26(12) . . ?
C201 B201 C221 120.8(4) . . ?
C201 B201 C211 120.3(4) . . ?
C221 B201 C211 113.0(4) . . ?
C201 B201 Cu2 105.3(3) . . ?
C221 B201 Cu2 79.0(3) . . ?
C211 B201 Cu2 108.6(3) . . ?
C202 P201 C241 106.2(2) . . ?
C202 P201 C231 104.44(19) . . ?
C241 P201 C231 105.2(2) . . ?
C202 P201 Cu2 106.90(15) . . ?
C241 P201 Cu2 113.47(15) . . ?
C231 P201 Cu2 119.51(15) . . ?
C212 P202 C251 106.8(2) . . ?
C212 P202 C261 102.7(2) . . ?
C251 P202 C261 104.2(2) . . ?
C212 P202 Cu2 111.64(14) . . ?
C251 P202 Cu2 114.79(16) . . ?
C261 P202 Cu2 115.60(15) . . ?
C206 C201 C202 119.1(4) . . ?
C206 C201 B201 119.5(4) . . ?
C202 C201 B201 121.4(4) . . ?
C203 C202 C201 118.9(4) . . ?
C203 C202 P201 123.9(4) . . ?
C201 C202 P201 117.1(3) . . ?
C204 C203 C202 121.5(4) . . ?
C204 C203 H203 119.2 . . ?
C202 C203 H203 119.2 . . ?
C205 C204 C203 119.8(4) . . ?
C205 C204 H204 120.1 . . ?
C203 C204 H204 120.1 . . ?
C204 C205 C206 119.2(5) . . ?
C204 C205 H205 120.4 . . ?
C206 C205 H205 120.4 . . ?
C201 C206 C205 121.4(5) . . ?
C201 C206 H206 119.3 . . ?
C205 C206 H206 119.3 . . ?
C216 C211 C212 118.3(4) . . ?
C216 C211 B201 119.9(4) . . ?
C212 C211 B201 121.5(4) . . ?
C211 C212 C213 120.2(4) . . ?
C211 C212 P202 113.9(3) . . ?
C213 C212 P202 125.9(3) . . ?
C214 C213 C212 119.5(4) . . ?
C214 C213 H213 120.3 . . ?
C212 C213 H213 120.3 . . ?
C213 C214 C215 120.0(4) . . ?
C213 C214 H214 120 . . ?
C215 C214 H214 120 . . ?
C216 C215 C214 120.3(4) . . ?
C216 C215 H215 119.9 . . ?
C214 C215 H215 119.9 . . ?
C215 C216 C211 121.7(4) . . ?
C215 C216 H216 119.2 . . ?
C211 C216 H216 119.2 . . ?
C222 C221 C226 116.8(4) . . ?
C222 C221 B201 123.3(4) . . ?
C226 C221 B201 119.8(4) . . ?
C223 C222 C221 121.9(4) . . ?
C223 C222 H222 119.1 . . ?
C221 C222 H222 119.1 . . ?
C222 C223 C224 118.8(4) . . ?
C222 C223 H223 120.6 . . ?
C224 C223 H223 120.6 . . ?
C225 C224 C223 120.8(5) . . ?
C225 C224 H224 119.6 . . ?
C223 C224 H224 119.6 . . ?
C224 C225 C226 120.3(5) . . ?
C224 C225 H225 119.9 . . ?
C226 C225 H225 119.9 . . ?
C225 C226 C221 121.4(5) . . ?
C225 C226 H226 119.3 . . ?
C221 C226 H226 119.3 . . ?
C233 C231 C232 112.8(4) . . ?
C233 C231 P201 115.0(3) . . ?
C232 C231 P201 112.6(3) . . ?
C233 C231 H231 105.1 . . ?
C232 C231 H231 105.1 . . ?
P201 C231 H231 105.1 . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C242 C241 C243 111.5(4) . . ?
C242 C241 P201 109.3(3) . . ?
C243 C241 P201 110.2(3) . . ?
C242 C241 H241 108.6 . . ?
C243 C241 H241 108.6 . . ?
P201 C241 H241 108.6 . . ?
C241 C242 H24A 109.5 . . ?
C241 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
C241 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C241 C243 H24D 109.5 . . ?
C241 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C241 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
C253 C251 C252 111.8(4) . . ?
C253 C251 P202 110.9(3) . . ?
C252 C251 P202 110.5(3) . . ?
C253 C251 H251 107.8 . . ?
C252 C251 H251 107.8 . . ?
P202 C251 H251 107.8 . . ?
C251 C252 H25A 109.5 . . ?
C251 C252 H25B 109.5 . . ?
H25A C252 H25B 109.5 . . ?
C251 C252 H25C 109.5 . . ?
H25A C252 H25C 109.5 . . ?
H25B C252 H25C 109.5 . . ?
C251 C253 H25D 109.5 . . ?
C251 C253 H25E 109.5 . . ?
H25D C253 H25E 109.5 . . ?
C251 C253 H25F 109.5 . . ?
H25D C253 H25F 109.5 . . ?
H25E C253 H25F 109.5 . . ?
C263 C261 C262 108.8(4) . . ?
C263 C261 P202 111.5(3) . . ?
C262 C261 P202 114.2(3) . . ?
C263 C261 H261 107.3 . . ?
C262 C261 H261 107.3 . . ?
P202 C261 H261 107.3 . . ?
C261 C262 H26A 109.5 . . ?
C261 C262 H26B 109.5 . . ?
H26A C262 H26B 109.5 . . ?
C261 C262 H26C 109.5 . . ?
H26A C262 H26C 109.5 . . ?
H26B C262 H26C 109.5 . . ?
C261 C263 H26D 109.5 . . ?
C261 C263 H26E 109.5 . . ?
H26D C263 H26E 109.5 . . ?
C261 C263 H26F 109.5 . . ?
H26D C263 H26F 109.5 . . ?
H26E C263 H26F 109.5 . . ?
Cl3 Cu3 P301 112.06(5) . . ?
Cl3 Cu3 P302 108.39(4) . . ?
P301 Cu3 P302 121.93(5) . . ?
Cl3 Cu3 B301 150.55(13) . . ?
P301 Cu3 B301 79.15(13) . . ?
P302 Cu3 B301 85.49(14) . . ?
Cl3 Cu3 C321 112.81(12) . . ?
P301 Cu3 C321 102.83(12) . . ?
P302 Cu3 C321 97.76(11) . . ?
B301 Cu3 C321 38.13(16) . . ?
C321 B301 C311 121.8(4) . . ?
C321 B301 C301 113.5(4) . . ?
C311 B301 C301 120.3(4) . . ?
C321 B301 Cu3 72.2(2) . . ?
C311 B301 Cu3 106.3(3) . . ?
C301 B301 Cu3 110.4(3) . . ?
C302 P301 C331 108.0(2) . . ?
C302 P301 C341 102.00(19) . . ?
C331 P301 C341 104.07(19) . . ?
C302 P301 Cu3 110.06(15) . . ?
C331 P301 Cu3 115.26(16) . . ?
C341 P301 Cu3 116.37(15) . . ?
C312 P302 C351 104.6(2) . . ?
C312 P302 C361 105.02(19) . . ?
C351 P302 C361 104.34(19) . . ?
C312 P302 Cu3 105.58(15) . . ?
C351 P302 Cu3 128.93(14) . . ?
C361 P302 Cu3 106.27(13) . . ?
C306 C301 C302 116.5(4) . . ?
C306 C301 B301 121.8(4) . . ?
C302 C301 B301 121.6(4) . . ?
C301 C302 C303 121.5(4) . . ?
C301 C302 P301 112.5(3) . . ?
C303 C302 P301 126.0(3) . . ?
C304 C303 C302 119.8(4) . . ?
C304 C303 H303 120.1 . . ?
C302 C303 H303 120.1 . . ?
C303 C304 C305 119.8(4) . . ?
C303 C304 H304 120.1 . . ?
C305 C304 H304 120.1 . . ?
C306 C305 C304 120.5(4) . . ?
C306 C305 H305 119.7 . . ?
C304 C305 H305 119.7 . . ?
C305 C306 C301 121.8(4) . . ?
C305 C306 H306 119.1 . . ?
C301 C306 H306 119.1 . . ?
C312 C311 C316 117.1(4) . . ?
C312 C311 B301 124.1(4) . . ?
C316 C311 B301 118.7(4) . . ?
C311 C312 C313 121.4(4) . . ?
C311 C312 P302 116.9(3) . . ?
C313 C312 P302 121.3(4) . . ?
C314 C313 C312 119.8(5) . . ?
C314 C313 H313 120.1 . . ?
C312 C313 H313 120.1 . . ?
C313 C314 C315 119.0(5) . . ?
C313 C314 H314 120.5 . . ?
C315 C314 H314 120.5 . . ?
C314 C315 C316 122.6(5) . . ?
C314 C315 H315 118.7 . . ?
C316 C315 H315 118.7 . . ?
C315 C316 C311 120.0(5) . . ?
C315 C316 H316 120 . . ?
C311 C316 H316 120 . . ?
C326 C321 C322 116.6(4) . . ?
C326 C321 B301 122.9(4) . . ?
C322 C321 B301 120.0(4) . . ?
C326 C321 Cu3 88.2(3) . . ?
C322 C321 Cu3 120.3(3) . . ?
B301 C321 Cu3 69.7(2) . . ?
C323 C322 C321 122.5(5) . . ?
C323 C322 H322 118.7 . . ?
C321 C322 H322 118.7 . . ?
C322 C323 C324 118.6(5) . . ?
C322 C323 H323 120.7 . . ?
C324 C323 H323 120.7 . . ?
C325 C324 C323 121.3(4) . . ?
C325 C324 H324 119.3 . . ?
C323 C324 H324 119.3 . . ?
C324 C325 C326 118.8(5) . . ?
C324 C325 H325 120.6 . . ?
C326 C325 H325 120.6 . . ?
C325 C326 C321 121.9(4) . . ?
C325 C326 H326 119 . . ?
C321 C326 H326 119 . . ?
C333 C331 C332 111.9(4) . . ?
C333 C331 P301 109.1(3) . . ?
C332 C331 P301 110.4(3) . . ?
C333 C331 H331 108.5 . . ?
C332 C331 H331 108.5 . . ?
P301 C331 H331 108.5 . . ?
C331 C332 H33A 109.5 . . ?
C331 C332 H33B 109.5 . . ?
H33A C332 H33B 109.5 . . ?
C331 C332 H33C 109.5 . . ?
H33A C332 H33C 109.5 . . ?
H33B C332 H33C 109.5 . . ?
C331 C333 H33D 109.5 . . ?
C331 C333 H33E 109.5 . . ?
H33D C333 H33E 109.5 . . ?
C331 C333 H33F 109.5 . . ?
H33D C333 H33F 109.5 . . ?
H33E C333 H33F 109.5 . . ?
C342 C341 C343 109.9(3) . . ?
C342 C341 P301 110.0(3) . . ?
C343 C341 P301 113.1(3) . . ?
C342 C341 H341 107.9 . . ?
C343 C341 H341 107.9 . . ?
P301 C341 H341 107.9 . . ?
C341 C342 H34A 109.5 . . ?
C341 C342 H34B 109.5 . . ?
H34A C342 H34B 109.5 . . ?
C341 C342 H34C 109.5 . . ?
H34A C342 H34C 109.5 . . ?
H34B C342 H34C 109.5 . . ?
C341 C343 H34D 109.5 . . ?
C341 C343 H34E 109.5 . . ?
H34D C343 H34E 109.5 . . ?
C341 C343 H34F 109.5 . . ?
H34D C343 H34F 109.5 . . ?
H34E C343 H34F 109.5 . . ?
C353 C351 C352 110.8(4) . . ?
C353 C351 P302 109.0(3) . . ?
C352 C351 P302 111.5(3) . . ?
C353 C351 H351 108.5 . . ?
C352 C351 H351 108.5 . . ?
P302 C351 H351 108.5 . . ?
C351 C352 H35A 109.5 . . ?
C351 C352 H35B 109.5 . . ?
H35A C352 H35B 109.5 . . ?
C351 C352 H35C 109.5 . . ?
H35A C352 H35C 109.5 . . ?
H35B C352 H35C 109.5 . . ?
C351 C353 H35D 109.5 . . ?
C351 C353 H35E 109.5 . . ?
H35D C353 H35E 109.5 . . ?
C351 C353 H35F 109.5 . . ?
H35D C353 H35F 109.5 . . ?
H35E C353 H35F 109.5 . . ?
C363 C361 C362 110.5(3) . . ?
C363 C361 P302 117.5(3) . . ?
C362 C361 P302 109.9(3) . . ?
C363 C361 H361 106.1 . . ?
C362 C361 H361 106.1 . . ?
P302 C361 H361 106.1 . . ?
C361 C362 H36A 109.5 . . ?
C361 C362 H36B 109.5 . . ?
H36A C362 H36B 109.5 . . ?
C361 C362 H36C 109.5 . . ?
H36A C362 H36C 109.5 . . ?
H36B C362 H36C 109.5 . . ?
C361 C363 H36D 109.5 . . ?
C361 C363 H36E 109.5 . . ?
H36D C363 H36E 109.5 . . ?
C361 C363 H36F 109.5 . . ?
H36D C363 H36F 109.5 . . ?
H36E C363 H36F 109.5 . . ?
P402 Cu4 P401 130.97(5) . . ?
P402 Cu4 Cl4 108.86(4) . . ?
P401 Cu4 Cl4 113.03(5) . . ?
P402 Cu4 B401 82.13(12) . . ?
P401 Cu4 B401 78.03(13) . . ?
Cl4 Cu4 B401 145.08(13) . . ?
C421 B401 C401 113.2(4) . . ?
C421 B401 C411 121.3(4) . . ?
C401 B401 C411 120.3(4) . . ?
C421 B401 Cu4 77.7(2) . . ?
C401 B401 Cu4 109.2(3) . . ?
C411 B401 Cu4 104.5(3) . . ?
C402 P401 C431 107.1(2) . . ?
C402 P401 C441 103.2(2) . . ?
C431 P401 C441 103.91(19) . . ?
C402 P401 Cu4 111.13(15) . . ?
C431 P401 Cu4 114.15(16) . . ?
C441 P401 Cu4 116.29(14) . . ?
C412 P402 C451 105.78(19) . . ?
C412 P402 C461 106.13(19) . . ?
C451 P402 C461 106.27(17) . . ?
C412 P402 Cu4 105.77(15) . . ?
C451 P402 Cu4 117.37(14) . . ?
C461 P402 Cu4 114.64(11) . . ?
C406 C401 C402 118.0(4) . . ?
C406 C401 B401 119.3(4) . . ?
C402 C401 B401 122.4(4) . . ?
C403 C402 C401 121.5(4) . . ?
C403 C402 P401 125.6(3) . . ?
C401 C402 P401 112.9(3) . . ?
C404 C403 C402 119.4(4) . . ?
C404 C403 H403 120.3 . . ?
C402 C403 H403 120.3 . . ?
C405 C404 C403 119.6(4) . . ?
C405 C404 H404 120.2 . . ?
C403 C404 H404 120.2 . . ?
C406 C405 C404 121.3(4) . . ?
C406 C405 H405 119.3 . . ?
C404 C405 H405 119.3 . . ?
C405 C406 C401 120.1(4) . . ?
C405 C406 H406 120 . . ?
C401 C406 H406 120 . . ?
C412 C411 C416 116.6(4) . . ?
C412 C411 B401 123.7(4) . . ?
C416 C411 B401 119.7(4) . . ?
C411 C412 C413 121.7(4) . . ?
C411 C412 P402 116.2(3) . . ?
C413 C412 P402 122.0(4) . . ?
C412 C413 C414 119.5(5) . . ?
C412 C413 H413 120.2 . . ?
C414 C413 H413 120.2 . . ?
C415 C414 C413 119.8(5) . . ?
C415 C414 H414 120.1 . . ?
C413 C414 H414 120.1 . . ?
C414 C415 C416 120.6(5) . . ?
C414 C415 H415 119.7 . . ?
C416 C415 H415 119.7 . . ?
C415 C416 C411 121.6(5) . . ?
C415 C416 H416 119.2 . . ?
C411 C416 H416 119.2 . . ?
C426 C421 C422 116.0(4) . . ?
C426 C421 B401 122.2(4) . . ?
C422 C421 B401 121.3(4) . . ?
C423 C422 C421 122.2(4) . . ?
C423 C422 H422 118.9 . . ?
C421 C422 H422 118.9 . . ?
C424 C423 C422 120.7(4) . . ?
C424 C423 H423 119.6 . . ?
C422 C423 H423 119.6 . . ?
C423 C424 C425 119.5(5) . . ?
C423 C424 H424 120.3 . . ?
C425 C424 H424 120.3 . . ?
C426 C425 C424 119.0(4) . . ?
C426 C425 H425 120.5 . . ?
C424 C425 H425 120.5 . . ?
C425 C426 C421 122.6(4) . . ?
C425 C426 H426 118.7 . . ?
C421 C426 H426 118.7 . . ?
C432 C431 C433 110.8(4) . . ?
C432 C431 P401 110.8(3) . . ?
C433 C431 P401 110.0(3) . . ?
C432 C431 H431 108.4 . . ?
C433 C431 H431 108.4 . . ?
P401 C431 H431 108.4 . . ?
C431 C432 H43A 109.5 . . ?
C431 C432 H43B 109.5 . . ?
H43A C432 H43B 109.5 . . ?
C431 C432 H43C 109.5 . . ?
H43A C432 H43C 109.5 . . ?
H43B C432 H43C 109.5 . . ?
C431 C433 H43D 109.5 . . ?
C431 C433 H43E 109.5 . . ?
H43D C433 H43E 109.5 . . ?
C431 C433 H43F 109.5 . . ?
H43D C433 H43F 109.5 . . ?
H43E C433 H43F 109.5 . . ?
C442 C441 C443 110.3(4) . . ?
C442 C441 P401 110.9(3) . . ?
C443 C441 P401 113.4(3) . . ?
C442 C441 H441 107.3 . . ?
C443 C441 H441 107.3 . . ?
P401 C441 H441 107.3 . . ?
C441 C442 H44A 109.5 . . ?
C441 C442 H44B 109.5 . . ?
H44A C442 H44B 109.5 . . ?
C441 C442 H44C 109.5 . . ?
H44A C442 H44C 109.5 . . ?
H44B C442 H44C 109.5 . . ?
C441 C443 H44D 109.5 . . ?
C441 C443 H44E 109.5 . . ?
H44D C443 H44E 109.5 . . ?
C441 C443 H44F 109.5 . . ?
H44D C443 H44F 109.5 . . ?
H44E C443 H44F 109.5 . . ?
C452 C451 C453 111.3(3) . . ?
C452 C451 P402 114.6(3) . . ?
C453 C451 P402 115.5(3) . . ?
C452 C451 H451 104.7 . . ?
C453 C451 H451 104.7 . . ?
P402 C451 H451 104.7 . . ?
C451 C452 H45A 109.5 . . ?
C451 C452 H45B 109.5 . . ?
H45A C452 H45B 109.5 . . ?
C451 C452 H45C 109.5 . . ?
H45A C452 H45C 109.5 . . ?
H45B C452 H45C 109.5 . . ?
C451 C453 H45D 109.5 . . ?
C451 C453 H45E 109.5 . . ?
H45D C453 H45E 109.5 . . ?
C451 C453 H45F 109.5 . . ?
H45D C453 H45F 109.5 . . ?
H45E C453 H45F 109.5 . . ?
C463 C461 C462 109.7(3) . . ?
C463 C461 P402 111.6(3) . . ?
C462 C461 P402 110.3(2) . . ?
C463 C461 H461 108.4 . . ?
C462 C461 H461 108.4 . . ?
P402 C461 H461 108.4 . . ?
C461 C462 H46A 109.5 . . ?
C461 C462 H46B 109.5 . . ?
H46A C462 H46B 109.5 . . ?
C461 C462 H46C 109.5 . . ?
H46A C462 H46C 109.5 . . ?
H46B C462 H46C 109.5 . . ?
C461 C463 H46D 109.5 . . ?
C461 C463 H46E 109.5 . . ?
H46D C463 H46E 109.5 . . ?
C461 C463 H46F 109.5 . . ?
H46D C463 H46F 109.5 . . ?
H46E C463 H46F 109.5 . . ?
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
Cl1 Cu1 2.2529(11) . ?
Cu1 P102 2.2474(13) . ?
Cu1 P101 2.2758(13) . ?
Cu1 B101 2.487(5) . ?
B101 C121 1.574(6) . ?
B101 C111 1.583(7) . ?
B101 C101 1.592(7) . ?
P101 C102 1.823(5) . ?
P101 C131 1.868(5) . ?
P101 C141 1.876(4) . ?
P102 C112 1.815(4) . ?
P102 C151 1.837(4) . ?
P102 C161 1.858(4) . ?
C101 C102 1.413(7) . ?
C101 C106 1.423(6) . ?
C102 C103 1.408(6) . ?
C103 C104 1.379(7) . ?
C103 H103 0.95 . ?
C104 C105 1.398(7) . ?
C104 H104 0.95 . ?
C105 C106 1.360(7) . ?
C105 H105 0.95 . ?
C106 H106 0.95 . ?
C111 C116 1.392(6) . ?
C111 C112 1.415(6) . ?
C112 C113 1.392(6) . ?
C113 C114 1.376(6) . ?
C113 H113 0.95 . ?
C114 C115 1.371(7) . ?
C114 H114 0.95 . ?
C115 C116 1.393(7) . ?
C115 H115 0.95 . ?
C116 H116 0.95 . ?
C121 C126 1.405(6) . ?
C121 C122 1.406(6) . ?
C122 C123 1.392(6) . ?
C122 H122 0.95 . ?
C123 C124 1.358(7) . ?
C123 H123 0.95 . ?
C124 C125 1.393(8) . ?
C124 H124 0.95 . ?
C125 C126 1.380(7) . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C131 C133 1.510(6) . ?
C131 C132 1.541(6) . ?
C131 H131 1 . ?
C132 H13A 0.98 . ?
C132 H13B 0.98 . ?
C132 H13C 0.98 . ?
C133 H13D 0.98 . ?
C133 H13E 0.98 . ?
C133 H13F 0.98 . ?
C141 C143 1.511(6) . ?
C141 C142 1.544(6) . ?
C141 H141 1 . ?
C142 H14A 0.98 . ?
C142 H14B 0.98 . ?
C142 H14C 0.98 . ?
C143 H14D 0.98 . ?
C143 H14E 0.98 . ?
C143 H14F 0.98 . ?
C151 C153 1.517(6) . ?
C151 C152 1.543(6) . ?
C151 H151 1 . ?
C152 H15A 0.98 . ?
C152 H15B 0.98 . ?
C152 H15C 0.98 . ?
C153 H15D 0.98 . ?
C153 H15E 0.98 . ?
C153 H15F 0.98 . ?
C161 C163 1.524(6) . ?
C161 C162 1.532(6) . ?
C161 H161 1 . ?
C162 H16A 0.98 . ?
C162 H16B 0.98 . ?
C162 H16C 0.98 . ?
C163 H16D 0.98 . ?
C163 H16E 0.98 . ?
C163 H16F 0.98 . ?
Cl2 Cu2 2.2754(12) . ?
Cu2 P201 2.2515(12) . ?
Cu2 P202 2.2583(13) . ?
Cu2 B201 2.512(5) . ?
B201 C201 1.580(6) . ?
B201 C221 1.586(7) . ?
B201 C211 1.604(7) . ?
P201 C202 1.828(4) . ?
P201 C241 1.857(4) . ?
P201 C231 1.860(5) . ?
P202 C212 1.804(4) . ?
P202 C251 1.838(4) . ?
P202 C261 1.852(4) . ?
C201 C206 1.387(6) . ?
C201 C202 1.411(6) . ?
C202 C203 1.400(6) . ?
C203 C204 1.391(7) . ?
C203 H203 0.95 . ?
C204 C205 1.382(7) . ?
C204 H204 0.95 . ?
C205 C206 1.412(6) . ?
C205 H205 0.95 . ?
C206 H206 0.95 . ?
C211 C216 1.385(6) . ?
C211 C212 1.407(6) . ?
C212 C213 1.410(6) . ?
C213 C214 1.391(6) . ?
C213 H213 0.95 . ?
C214 C215 1.383(7) . ?
C214 H214 0.95 . ?
C215 C216 1.378(7) . ?
C215 H215 0.95 . ?
C216 H216 0.95 . ?
C221 C222 1.401(6) . ?
C221 C226 1.409(6) . ?
C222 C223 1.403(7) . ?
C222 H222 0.95 . ?
C223 C224 1.409(7) . ?
C223 H223 0.95 . ?
C224 C225 1.346(7) . ?
C224 H224 0.95 . ?
C225 C226 1.410(7) . ?
C225 H225 0.95 . ?
C226 H226 0.95 . ?
C231 C233 1.516(6) . ?
C231 C232 1.522(6) . ?
C231 H231 1 . ?
C232 H23A 0.98 . ?
C232 H23B 0.98 . ?
C232 H23C 0.98 . ?
C233 H23D 0.98 . ?
C233 H23E 0.98 . ?
C233 H23F 0.98 . ?
C241 C242 1.530(6) . ?
C241 C243 1.538(6) . ?
C241 H241 1 . ?
C242 H24A 0.98 . ?
C242 H24B 0.98 . ?
C242 H24C 0.98 . ?
C243 H24D 0.98 . ?
C243 H24E 0.98 . ?
C243 H24F 0.98 . ?
C251 C253 1.521(6) . ?
C251 C252 1.525(6) . ?
C251 H251 1 . ?
C252 H25A 0.98 . ?
C252 H25B 0.98 . ?
C252 H25C 0.98 . ?
C253 H25D 0.98 . ?
C253 H25E 0.98 . ?
C253 H25F 0.98 . ?
C261 C263 1.538(6) . ?
C261 C262 1.542(6) . ?
C261 H261 1 . ?
C262 H26A 0.98 . ?
C262 H26B 0.98 . ?
C262 H26C 0.98 . ?
C263 H26D 0.98 . ?
C263 H26E 0.98 . ?
C263 H26F 0.98 . ?
Cl3 Cu3 2.2543(11) . ?
Cu3 P301 2.2659(13) . ?
Cu3 P302 2.2743(12) . ?
Cu3 B301 2.379(5) . ?
Cu3 C321 2.414(4) . ?
B301 C321 1.566(7) . ?
B301 C311 1.596(7) . ?
B301 C301 1.604(7) . ?
P301 C302 1.803(4) . ?
P301 C331 1.850(4) . ?
P301 C341 1.863(4) . ?
P302 C312 1.827(5) . ?
P302 C351 1.833(4) . ?
P302 C361 1.907(4) . ?
C301 C306 1.399(6) . ?
C301 C302 1.408(6) . ?
C302 C303 1.412(6) . ?
C303 C304 1.361(6) . ?
C303 H303 0.95 . ?
C304 C305 1.394(6) . ?
C304 H304 0.95 . ?
C305 C306 1.378(6) . ?
C305 H305 0.95 . ?
C306 H306 0.95 . ?
C311 C312 1.411(6) . ?
C311 C316 1.417(6) . ?
C312 C313 1.420(6) . ?
C313 C314 1.383(7) . ?
C313 H313 0.95 . ?
C314 C315 1.380(8) . ?
C314 H314 0.95 . ?
C315 C316 1.388(8) . ?
C315 H315 0.95 . ?
C316 H316 0.95 . ?
C321 C326 1.399(6) . ?
C321 C322 1.406(6) . ?
C322 C323 1.377(6) . ?
C322 H322 0.95 . ?
C323 C324 1.390(7) . ?
C323 H323 0.95 . ?
C324 C325 1.380(8) . ?
C324 H324 0.95 . ?
C325 C326 1.390(6) . ?
C325 H325 0.95 . ?
C326 H326 0.95 . ?
C331 C333 1.529(6) . ?
C331 C332 1.531(6) . ?
C331 H331 1 . ?
C332 H33A 0.98 . ?
C332 H33B 0.98 . ?
C332 H33C 0.98 . ?
C333 H33D 0.98 . ?
C333 H33E 0.98 . ?
C333 H33F 0.98 . ?
C341 C342 1.524(5) . ?
C341 C343 1.539(6) . ?
C341 H341 1 . ?
C342 H34A 0.98 . ?
C342 H34B 0.98 . ?
C342 H34C 0.98 . ?
C343 H34D 0.98 . ?
C343 H34E 0.98 . ?
C343 H34F 0.98 . ?
C351 C353 1.512(6) . ?
C351 C352 1.528(6) . ?
C351 H351 1 . ?
C352 H35A 0.98 . ?
C352 H35B 0.98 . ?
C352 H35C 0.98 . ?
C353 H35D 0.98 . ?
C353 H35E 0.98 . ?
C353 H35F 0.98 . ?
C361 C363 1.520(6) . ?
C361 C362 1.540(5) . ?
C361 H361 1 . ?
C362 H36A 0.98 . ?
C362 H36B 0.98 . ?
C362 H36C 0.98 . ?
C363 H36D 0.98 . ?
C363 H36E 0.98 . ?
C363 H36F 0.98 . ?
Cl4 Cu4 2.2729(12) . ?
Cu4 P402 2.2523(12) . ?
Cu4 P401 2.2587(13) . ?
Cu4 B401 2.467(5) . ?
B401 C421 1.576(7) . ?
B401 C401 1.581(7) . ?
B401 C411 1.577(7) . ?
P401 C402 1.805(4) . ?
P401 C431 1.835(4) . ?
P401 C441 1.868(4) . ?
P402 C412 1.844(5) . ?
P402 C451 1.851(4) . ?
P402 C461 1.856(4) . ?
C401 C406 1.409(6) . ?
C401 C402 1.407(6) . ?
C402 C403 1.395(6) . ?
C403 C404 1.395(6) . ?
C403 H403 0.95 . ?
C404 C405 1.386(6) . ?
C404 H404 0.95 . ?
C405 C406 1.388(5) . ?
C405 H405 0.95 . ?
C406 H406 0.95 . ?
C411 C412 1.394(6) . ?
C411 C416 1.414(6) . ?
C412 C413 1.393(6) . ?
C413 C414 1.404(7) . ?
C413 H413 0.95 . ?
C414 C415 1.358(7) . ?
C414 H414 0.95 . ?
C415 C416 1.384(7) . ?
C415 H415 0.95 . ?
C416 H416 0.95 . ?
C421 C426 1.408(6) . ?
C421 C422 1.410(6) . ?
C422 C423 1.384(7) . ?
C422 H422 0.95 . ?
C423 C424 1.376(7) . ?
C423 H423 0.95 . ?
C424 C425 1.412(7) . ?
C424 H424 0.95 . ?
C425 C426 1.395(6) . ?
C425 H425 0.95 . ?
C426 H426 0.95 . ?
C431 C432 1.523(6) . ?
C431 C433 1.527(6) . ?
C431 H431 1 . ?
C432 H43A 0.98 . ?
C432 H43B 0.98 . ?
C432 H43C 0.98 . ?
C433 H43D 0.98 . ?
C433 H43E 0.98 . ?
C433 H43F 0.98 . ?
C441 C442 1.531(6) . ?
C441 C443 1.548(6) . ?
C441 H441 1 . ?
C442 H44A 0.98 . ?
C442 H44B 0.98 . ?
C442 H44C 0.98 . ?
C443 H44D 0.98 . ?
C443 H44E 0.98 . ?
C443 H44F 0.98 . ?
C451 C452 1.521(5) . ?
C451 C453 1.518(5) . ?
C451 H451 1 . ?
C452 H45A 0.98 . ?
C452 H45B 0.98 . ?
C452 H45C 0.98 . ?
C453 H45D 0.98 . ?
C453 H45E 0.98 . ?
C453 H45F 0.98 . ?
C461 C463 1.531(5) . ?
C461 C462 1.540(5) . ?
C461 H461 1 . ?
C462 H46A 0.98 . ?
C462 H46B 0.98 . ?
C462 H46C 0.98 . ?
C463 H46D 0.98 . ?
C463 H46E 0.98 . ?
C463 H46F 0.98 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P102 Cu1 B101 C121 -128.3(3) . . . . ?
Cl1 Cu1 B101 C121 -18.8(4) . . . . ?
P101 Cu1 B101 C121 94.8(2) . . . . ?
P102 Cu1 B101 C111 -16.4(3) . . . . ?
Cl1 Cu1 B101 C111 93.1(3) . . . . ?
P101 Cu1 B101 C111 -153.3(3) . . . . ?
P102 Cu1 B101 C101 114.4(3) . . . . ?
Cl1 Cu1 B101 C101 -136.1(2) . . . . ?
P101 Cu1 B101 C101 -22.5(3) . . . . ?
P102 Cu1 P101 C102 -46.75(17) . . . . ?
Cl1 Cu1 P101 C102 167.89(15) . . . . ?
B101 Cu1 P101 C102 19.60(19) . . . . ?
P102 Cu1 P101 C131 -163.22(18) . . . . ?
Cl1 Cu1 P101 C131 51.42(19) . . . . ?
B101 Cu1 P101 C131 -96.9(2) . . . . ?
P102 Cu1 P101 C141 71.16(17) . . . . ?
Cl1 Cu1 P101 C141 -74.21(17) . . . . ?
B101 Cu1 P101 C141 137.5(2) . . . . ?
Cl1 Cu1 P102 C112 -126.80(15) . . . . ?
P101 Cu1 P102 C112 88.13(16) . . . . ?
B101 Cu1 P102 C112 20.19(19) . . . . ?
Cl1 Cu1 P102 C151 -4.62(18) . . . . ?
P101 Cu1 P102 C151 -149.69(17) . . . . ?
B101 Cu1 P102 C151 142.4(2) . . . . ?
Cl1 Cu1 P102 C161 117.29(15) . . . . ?
P101 Cu1 P102 C161 -27.79(16) . . . . ?
B101 Cu1 P102 C161 -95.72(19) . . . . ?
C121 B101 C101 C102 -60.2(6) . . . . ?
C111 B101 C101 C102 145.1(4) . . . . ?
Cu1 B101 C101 C102 22.4(5) . . . . ?
C121 B101 C101 C106 117.9(5) . . . . ?
C111 B101 C101 C106 -36.7(6) . . . . ?
Cu1 B101 C101 C106 -159.4(3) . . . . ?
C106 C101 C102 C103 0.1(6) . . . . ?
B101 C101 C102 C103 178.3(4) . . . . ?
C106 C101 C102 P101 175.0(3) . . . . ?
B101 C101 C102 P101 -6.8(6) . . . . ?
C131 P101 C102 C103 -75.0(4) . . . . ?
C141 P101 C102 C103 36.6(5) . . . . ?
Cu1 P101 C102 C103 160.1(4) . . . . ?
C131 P101 C102 C101 110.1(4) . . . . ?
C141 P101 C102 C101 -138.3(3) . . . . ?
Cu1 P101 C102 C101 -14.8(4) . . . . ?
C101 C102 C103 C104 0.4(7) . . . . ?
P101 C102 C103 C104 -174.2(4) . . . . ?
C102 C103 C104 C105 -0.6(7) . . . . ?
C103 C104 C105 C106 0.4(8) . . . . ?
C104 C105 C106 C101 0.0(8) . . . . ?
C102 C101 C106 C105 -0.2(7) . . . . ?
B101 C101 C106 C105 -178.6(4) . . . . ?
C121 B101 C111 C116 -82.5(5) . . . . ?
C101 B101 C111 C116 73.2(6) . . . . ?
Cu1 B101 C111 C116 -166.9(3) . . . . ?
C121 B101 C111 C112 92.0(5) . . . . ?
C101 B101 C111 C112 -112.3(5) . . . . ?
Cu1 B101 C111 C112 7.6(5) . . . . ?
C116 C111 C112 C113 1.4(6) . . . . ?
B101 C111 C112 C113 -173.3(4) . . . . ?
C116 C111 C112 P102 -176.0(3) . . . . ?
B101 C111 C112 P102 9.3(5) . . . . ?
C151 P102 C112 C113 30.7(4) . . . . ?
C161 P102 C112 C113 -79.1(4) . . . . ?
Cu1 P102 C112 C113 159.2(3) . . . . ?
C151 P102 C112 C111 -152.0(3) . . . . ?
C161 P102 C112 C111 98.1(3) . . . . ?
Cu1 P102 C112 C111 -23.6(3) . . . . ?
C111 C112 C113 C114 -0.4(7) . . . . ?
P102 C112 C113 C114 176.7(4) . . . . ?
C112 C113 C114 C115 -0.4(7) . . . . ?
C113 C114 C115 C116 -0.1(7) . . . . ?
C112 C111 C116 C115 -1.9(7) . . . . ?
B101 C111 C116 C115 172.9(4) . . . . ?
C114 C115 C116 C111 1.3(8) . . . . ?
C111 B101 C121 C126 134.1(4) . . . . ?
C101 B101 C121 C126 -22.2(6) . . . . ?
Cu1 B101 C121 C126 -120.4(4) . . . . ?
C111 B101 C121 C122 -37.8(6) . . . . ?
C101 B101 C121 C122 165.8(4) . . . . ?
Cu1 B101 C121 C122 67.6(4) . . . . ?
C126 C121 C122 C123 3.8(6) . . . . ?
B101 C121 C122 C123 175.9(4) . . . . ?
C121 C122 C123 C124 -2.0(7) . . . . ?
C122 C123 C124 C125 -0.6(8) . . . . ?
C123 C124 C125 C126 1.3(8) . . . . ?
C124 C125 C126 C121 0.6(7) . . . . ?
C122 C121 C126 C125 -3.1(7) . . . . ?
B101 C121 C126 C125 -175.4(4) . . . . ?
C102 P101 C131 C133 35.2(4) . . . . ?
C141 P101 C131 C133 -76.8(4) . . . . ?
Cu1 P101 C131 C133 153.0(3) . . . . ?
C102 P101 C131 C132 162.0(3) . . . . ?
C141 P101 C131 C132 50.0(4) . . . . ?
Cu1 P101 C131 C132 -80.2(3) . . . . ?
C102 P101 C141 C143 47.3(4) . . . . ?
C131 P101 C141 C143 157.8(3) . . . . ?
Cu1 P101 C141 C143 -70.9(3) . . . . ?
C102 P101 C141 C142 168.4(3) . . . . ?
C131 P101 C141 C142 -81.1(4) . . . . ?
Cu1 P101 C141 C142 50.2(4) . . . . ?
C112 P102 C151 C153 65.1(4) . . . . ?
C161 P102 C151 C153 173.9(3) . . . . ?
Cu1 P102 C151 C153 -60.0(4) . . . . ?
C112 P102 C151 C152 -171.1(3) . . . . ?
C161 P102 C151 C152 -62.2(4) . . . . ?
Cu1 P102 C151 C152 63.8(4) . . . . ?
C112 P102 C161 C163 -58.3(4) . . . . ?
C151 P102 C161 C163 -168.9(3) . . . . ?
Cu1 P102 C161 C163 62.5(3) . . . . ?
C112 P102 C161 C162 66.1(3) . . . . ?
C151 P102 C161 C162 -44.6(4) . . . . ?
Cu1 P102 C161 C162 -173.2(3) . . . . ?
P201 Cu2 B201 C201 -25.7(3) . . . . ?
P202 Cu2 B201 C201 110.9(3) . . . . ?
Cl2 Cu2 B201 C201 -139.5(2) . . . . ?
P201 Cu2 B201 C221 93.5(2) . . . . ?
P202 Cu2 B201 C221 -129.9(3) . . . . ?
Cl2 Cu2 B201 C221 -20.3(4) . . . . ?
P201 Cu2 B201 C211 -155.7(3) . . . . ?
P202 Cu2 B201 C211 -19.2(3) . . . . ?
Cl2 Cu2 B201 C211 90.5(3) . . . . ?
P202 Cu2 P201 C202 -40.98(15) . . . . ?
Cl2 Cu2 P201 C202 172.01(14) . . . . ?
B201 Cu2 P201 C202 22.93(18) . . . . ?
P202 Cu2 P201 C241 75.79(18) . . . . ?
Cl2 Cu2 P201 C241 -71.22(17) . . . . ?
B201 Cu2 P201 C241 139.7(2) . . . . ?
P202 Cu2 P201 C231 -159.11(17) . . . . ?
Cl2 Cu2 P201 C231 53.88(17) . . . . ?
B201 Cu2 P201 C231 -95.2(2) . . . . ?
P201 Cu2 P202 C212 87.36(16) . . . . ?
Cl2 Cu2 P202 C212 -125.70(15) . . . . ?
B201 Cu2 P202 C212 22.31(19) . . . . ?
P201 Cu2 P202 C251 -150.89(16) . . . . ?
Cl2 Cu2 P202 C251 -3.95(17) . . . . ?
B201 Cu2 P202 C251 144.1(2) . . . . ?
P201 Cu2 P202 C261 -29.52(19) . . . . ?
Cl2 Cu2 P202 C261 117.42(17) . . . . ?
B201 Cu2 P202 C261 -94.6(2) . . . . ?
C221 B201 C201 C206 115.0(5) . . . . ?
C211 B201 C201 C206 -36.0(6) . . . . ?
Cu2 B201 C201 C206 -158.9(3) . . . . ?
C221 B201 C201 C202 -63.8(6) . . . . ?
C211 B201 C201 C202 145.2(4) . . . . ?
Cu2 B201 C201 C202 22.4(5) . . . . ?
C206 C201 C202 C203 -0.7(6) . . . . ?
B201 C201 C202 C203 178.0(4) . . . . ?
C206 C201 C202 P201 177.9(3) . . . . ?
B201 C201 C202 P201 -3.4(5) . . . . ?
C241 P201 C202 C203 37.1(4) . . . . ?
C231 P201 C202 C203 -73.9(4) . . . . ?
Cu2 P201 C202 C203 158.5(3) . . . . ?
C241 P201 C202 C201 -141.5(3) . . . . ?
C231 P201 C202 C201 107.6(3) . . . . ?
Cu2 P201 C202 C201 -20.0(4) . . . . ?
C201 C202 C203 C204 0.1(6) . . . . ?
P201 C202 C203 C204 -178.4(3) . . . . ?
C202 C203 C204 C205 -0.2(7) . . . . ?
C203 C204 C205 C206 0.9(7) . . . . ?
C202 C201 C206 C205 1.5(7) . . . . ?
B201 C201 C206 C205 -177.2(4) . . . . ?
C204 C205 C206 C201 -1.6(7) . . . . ?
C201 B201 C211 C216 75.9(6) . . . . ?
C221 B201 C211 C216 -77.2(5) . . . . ?
Cu2 B201 C211 C216 -162.8(3) . . . . ?
C201 B201 C211 C212 -110.3(5) . . . . ?
C221 B201 C211 C212 96.6(5) . . . . ?
Cu2 B201 C211 C212 11.0(5) . . . . ?
C216 C211 C212 C213 1.3(6) . . . . ?
B201 C211 C212 C213 -172.6(4) . . . . ?
C216 C211 C212 P202 -178.5(3) . . . . ?
B201 C211 C212 P202 7.6(5) . . . . ?
C251 P202 C212 C211 -151.2(3) . . . . ?
C261 P202 C212 C211 99.5(3) . . . . ?
Cu2 P202 C212 C211 -24.9(4) . . . . ?
C251 P202 C212 C213 29.1(5) . . . . ?
C261 P202 C212 C213 -80.2(4) . . . . ?
Cu2 P202 C212 C213 155.4(4) . . . . ?
C211 C212 C213 C214 -0.9(7) . . . . ?
P202 C212 C213 C214 178.7(3) . . . . ?
C212 C213 C214 C215 -0.1(7) . . . . ?
C213 C214 C215 C216 0.8(7) . . . . ?
C214 C215 C216 C211 -0.4(8) . . . . ?
C212 C211 C216 C215 -0.6(7) . . . . ?
B201 C211 C216 C215 173.4(4) . . . . ?
C201 B201 C221 C222 164.1(4) . . . . ?
C211 B201 C221 C222 -42.9(6) . . . . ?
Cu2 B201 C221 C222 62.7(4) . . . . ?
C201 B201 C221 C226 -19.7(7) . . . . ?
C211 B201 C221 C226 133.2(4) . . . . ?
Cu2 B201 C221 C226 -121.1(4) . . . . ?
C226 C221 C222 C223 3.4(7) . . . . ?
B201 C221 C222 C223 179.7(4) . . . . ?
C221 C222 C223 C224 -4.1(7) . . . . ?
C222 C223 C224 C225 2.0(7) . . . . ?
C223 C224 C225 C226 0.6(8) . . . . ?
C224 C225 C226 C221 -1.2(7) . . . . ?
C222 C221 C226 C225 -0.7(7) . . . . ?
B201 C221 C226 C225 -177.1(4) . . . . ?
C202 P201 C231 C233 77.8(4) . . . . ?
C241 P201 C231 C233 -33.9(4) . . . . ?
Cu2 P201 C231 C233 -162.8(3) . . . . ?
C202 P201 C231 C232 -151.1(3) . . . . ?
C241 P201 C231 C232 97.2(3) . . . . ?
Cu2 P201 C231 C232 -31.7(3) . . . . ?
C202 P201 C241 C242 -176.2(3) . . . . ?
C231 P201 C241 C242 -65.8(3) . . . . ?
Cu2 P201 C241 C242 66.7(3) . . . . ?
C202 P201 C241 C243 61.0(4) . . . . ?
C231 P201 C241 C243 171.4(3) . . . . ?
Cu2 P201 C241 C243 -56.1(3) . . . . ?
C212 P202 C251 C253 66.2(4) . . . . ?
C261 P202 C251 C253 174.4(3) . . . . ?
Cu2 P202 C251 C253 -58.2(4) . . . . ?
C212 P202 C251 C252 -169.3(3) . . . . ?
C261 P202 C251 C252 -61.0(4) . . . . ?
Cu2 P202 C251 C252 66.4(4) . . . . ?
C212 P202 C261 C263 -58.8(4) . . . . ?
C251 P202 C261 C263 -170.1(4) . . . . ?
Cu2 P202 C261 C263 63.0(4) . . . . ?
C212 P202 C261 C262 65.0(4) . . . . ?
C251 P202 C261 C262 -46.3(4) . . . . ?
Cu2 P202 C261 C262 -173.2(3) . . . . ?
Cl3 Cu3 B301 C321 11.6(4) . . . . ?
P301 Cu3 B301 C321 127.6(3) . . . . ?
P302 Cu3 B301 C321 -108.7(2) . . . . ?
Cl3 Cu3 B301 C311 130.5(3) . . . . ?
P301 Cu3 B301 C311 -113.5(3) . . . . ?
P302 Cu3 B301 C311 10.2(3) . . . . ?
C321 Cu3 B301 C311 118.8(4) . . . . ?
Cl3 Cu3 B301 C301 -97.5(3) . . . . ?
P301 Cu3 B301 C301 18.5(3) . . . . ?
P302 Cu3 B301 C301 142.2(3) . . . . ?
C321 Cu3 B301 C301 -109.1(4) . . . . ?
Cl3 Cu3 P301 C302 129.65(15) . . . . ?
P302 Cu3 P301 C302 -99.54(16) . . . . ?
B301 Cu3 P301 C302 -21.9(2) . . . . ?
C321 Cu3 P301 C302 8.23(19) . . . . ?
Cl3 Cu3 P301 C331 7.26(17) . . . . ?
P302 Cu3 P301 C331 138.07(16) . . . . ?
B301 Cu3 P301 C331 -144.3(2) . . . . ?
C321 Cu3 P301 C331 -114.2(2) . . . . ?
Cl3 Cu3 P301 C341 -115.01(15) . . . . ?
P302 Cu3 P301 C341 15.81(16) . . . . ?
B301 Cu3 P301 C341 93.5(2) . . . . ?
C321 Cu3 P301 C341 123.57(18) . . . . ?
Cl3 Cu3 P302 C312 -159.20(15) . . . . ?
P301 Cu3 P302 C312 68.46(15) . . . . ?
B301 Cu3 P302 C312 -5.78(19) . . . . ?
C321 Cu3 P302 C312 -41.96(19) . . . . ?
Cl3 Cu3 P302 C351 -34.96(19) . . . . ?
P301 Cu3 P302 C351 -167.30(18) . . . . ?
B301 Cu3 P302 C351 118.5(2) . . . . ?
C321 Cu3 P302 C351 82.3(2) . . . . ?
Cl3 Cu3 P302 C361 89.60(13) . . . . ?
P301 Cu3 P302 C361 -42.74(14) . . . . ?
B301 Cu3 P302 C361 -116.98(17) . . . . ?
C321 Cu3 P302 C361 -153.17(17) . . . . ?
C321 B301 C301 C306 86.6(5) . . . . ?
C311 B301 C301 C306 -70.3(6) . . . . ?
Cu3 B301 C301 C306 165.4(3) . . . . ?
C321 B301 C301 C302 -88.6(5) . . . . ?
C311 B301 C301 C302 114.5(5) . . . . ?
Cu3 B301 C301 C302 -9.8(5) . . . . ?
C306 C301 C302 C303 -0.9(6) . . . . ?
B301 C301 C302 C303 174.5(4) . . . . ?
C306 C301 C302 P301 175.7(3) . . . . ?
B301 C301 C302 P301 -8.8(5) . . . . ?
C331 P301 C302 C301 150.8(3) . . . . ?
C341 P301 C302 C301 -99.9(3) . . . . ?
Cu3 P301 C302 C301 24.2(3) . . . . ?
C331 P301 C302 C303 -32.8(4) . . . . ?
C341 P301 C302 C303 76.5(4) . . . . ?
Cu3 P301 C302 C303 -159.4(3) . . . . ?
C301 C302 C303 C304 2.8(6) . . . . ?
P301 C302 C303 C304 -173.3(3) . . . . ?
C302 C303 C304 C305 -3.1(6) . . . . ?
C303 C304 C305 C306 1.5(7) . . . . ?
C304 C305 C306 C301 0.4(7) . . . . ?
C302 C301 C306 C305 -0.6(6) . . . . ?
B301 C301 C306 C305 -176.1(4) . . . . ?
C321 B301 C311 C312 64.5(6) . . . . ?
C301 B301 C311 C312 -140.6(4) . . . . ?
Cu3 B301 C311 C312 -14.3(5) . . . . ?
C321 B301 C311 C316 -113.1(5) . . . . ?
C301 B301 C311 C316 41.8(6) . . . . ?
Cu3 B301 C311 C316 168.1(3) . . . . ?
C316 C311 C312 C313 0.9(6) . . . . ?
B301 C311 C312 C313 -176.7(4) . . . . ?
C316 C311 C312 P302 -172.1(3) . . . . ?
B301 C311 C312 P302 10.2(6) . . . . ?
C351 P302 C312 C311 -138.2(3) . . . . ?
C361 P302 C312 C311 112.2(3) . . . . ?
Cu3 P302 C312 C311 0.1(4) . . . . ?
C351 P302 C312 C313 48.7(4) . . . . ?
C361 P302 C312 C313 -60.9(4) . . . . ?
Cu3 P302 C312 C313 -173.0(3) . . . . ?
C311 C312 C313 C314 0.2(7) . . . . ?
P302 C312 C313 C314 173.0(4) . . . . ?
C312 C313 C314 C315 -0.3(7) . . . . ?
C313 C314 C315 C316 -0.7(8) . . . . ?
C314 C315 C316 C311 1.9(8) . . . . ?
C312 C311 C316 C315 -1.9(6) . . . . ?
B301 C311 C316 C315 175.8(4) . . . . ?
C311 B301 C321 C326 -172.2(4) . . . . ?
C301 B301 C321 C326 31.3(6) . . . . ?
Cu3 B301 C321 C326 -73.7(4) . . . . ?
C311 B301 C321 C322 15.6(6) . . . . ?
C301 B301 C321 C322 -140.9(4) . . . . ?
Cu3 B301 C321 C322 114.1(4) . . . . ?
C311 B301 C321 Cu3 -98.5(4) . . . . ?
C301 B301 C321 Cu3 105.0(4) . . . . ?
Cl3 Cu3 C321 C326 -47.6(3) . . . . ?
P301 Cu3 C321 C326 73.3(3) . . . . ?
P302 Cu3 C321 C326 -161.3(3) . . . . ?
B301 Cu3 C321 C326 126.2(4) . . . . ?
Cl3 Cu3 C321 C322 72.4(4) . . . . ?
P301 Cu3 C321 C322 -166.6(3) . . . . ?
P302 Cu3 C321 C322 -41.3(4) . . . . ?
B301 Cu3 C321 C322 -113.7(5) . . . . ?
Cl3 Cu3 C321 B301 -173.8(2) . . . . ?
P301 Cu3 C321 B301 -52.9(3) . . . . ?
P302 Cu3 C321 B301 72.4(3) . . . . ?
C326 C321 C322 C323 1.6(7) . . . . ?
B301 C321 C322 C323 174.3(4) . . . . ?
Cu3 C321 C322 C323 -103.0(5) . . . . ?
C321 C322 C323 C324 -0.1(7) . . . . ?
C322 C323 C324 C325 1.6(7) . . . . ?
C323 C324 C325 C326 -4.5(7) . . . . ?
C324 C325 C326 C321 6.1(7) . . . . ?
C322 C321 C326 C325 -4.6(7) . . . . ?
B301 C321 C326 C325 -177.1(4) . . . . ?
Cu3 C321 C326 C325 118.6(4) . . . . ?
C302 P301 C331 C333 172.6(3) . . . . ?
C341 P301 C331 C333 64.8(4) . . . . ?
Cu3 P301 C331 C333 -63.9(3) . . . . ?
C302 P301 C331 C332 -64.0(4) . . . . ?
C341 P301 C331 C332 -171.9(3) . . . . ?
Cu3 P301 C331 C332 59.5(4) . . . . ?
C302 P301 C341 C342 51.6(3) . . . . ?
C331 P301 C341 C342 163.9(3) . . . . ?
Cu3 P301 C341 C342 -68.2(3) . . . . ?
C302 P301 C341 C343 -71.7(3) . . . . ?
C331 P301 C341 C343 40.5(3) . . . . ?
Cu3 P301 C341 C343 168.5(2) . . . . ?
C312 P302 C351 C353 61.1(3) . . . . ?
C361 P302 C351 C353 171.2(3) . . . . ?
Cu3 P302 C351 C353 -63.5(3) . . . . ?
C312 P302 C351 C352 -176.2(3) . . . . ?
C361 P302 C351 C352 -66.2(3) . . . . ?
Cu3 P302 C351 C352 59.1(4) . . . . ?
C312 P302 C361 C363 73.2(4) . . . . ?
C351 P302 C361 C363 -36.6(4) . . . . ?
Cu3 P302 C361 C363 -175.2(3) . . . . ?
C312 P302 C361 C362 -159.3(3) . . . . ?
C351 P302 C361 C362 90.9(3) . . . . ?
Cu3 P302 C361 C362 -47.7(3) . . . . ?
P402 Cu4 B401 C421 -95.3(2) . . . . ?
P401 Cu4 B401 C421 129.7(2) . . . . ?
Cl4 Cu4 B401 C421 16.5(4) . . . . ?
P402 Cu4 B401 C401 154.1(3) . . . . ?
P401 Cu4 B401 C401 19.2(3) . . . . ?
Cl4 Cu4 B401 C401 -94.1(4) . . . . ?
P402 Cu4 B401 C411 24.2(3) . . . . ?
P401 Cu4 B401 C411 -110.7(3) . . . . ?
Cl4 Cu4 B401 C411 136.1(2) . . . . ?
P402 Cu4 P401 C402 -90.07(16) . . . . ?
Cl4 Cu4 P401 C402 123.38(16) . . . . ?
B401 Cu4 P401 C402 -21.8(2) . . . . ?
P402 Cu4 P401 C431 148.65(15) . . . . ?
Cl4 Cu4 P401 C431 2.10(16) . . . . ?
B401 Cu4 P401 C431 -143.0(2) . . . . ?
P402 Cu4 P401 C441 27.62(17) . . . . ?
Cl4 Cu4 P401 C441 -118.93(16) . . . . ?
B401 Cu4 P401 C441 95.9(2) . . . . ?
P401 Cu4 P402 C412 45.37(16) . . . . ?
Cl4 Cu4 P402 C412 -167.05(15) . . . . ?
B401 Cu4 P402 C412 -21.2(2) . . . . ?
P401 Cu4 P402 C451 163.04(15) . . . . ?
Cl4 Cu4 P402 C451 -49.38(15) . . . . ?
B401 Cu4 P402 C451 96.46(19) . . . . ?
P401 Cu4 P402 C461 -71.20(14) . . . . ?
Cl4 Cu4 P402 C461 76.39(14) . . . . ?
B401 Cu4 P402 C461 -137.78(18) . . . . ?
C421 B401 C401 C406 77.2(5) . . . . ?
C411 B401 C401 C406 -77.7(6) . . . . ?
Cu4 B401 C401 C406 161.7(3) . . . . ?
C421 B401 C401 C402 -96.0(5) . . . . ?
C411 B401 C401 C402 109.0(5) . . . . ?
Cu4 B401 C401 C402 -11.5(5) . . . . ?
C406 C401 C402 C403 -1.0(6) . . . . ?
B401 C401 C402 C403 172.3(4) . . . . ?
C406 C401 C402 P401 180.0(3) . . . . ?
B401 C401 C402 P401 -6.7(6) . . . . ?
C431 P401 C402 C403 -30.0(4) . . . . ?
C441 P401 C402 C403 79.3(4) . . . . ?
Cu4 P401 C402 C403 -155.4(4) . . . . ?
C431 P401 C402 C401 148.9(3) . . . . ?
C441 P401 C402 C401 -101.7(3) . . . . ?
Cu4 P401 C402 C401 23.6(4) . . . . ?
C401 C402 C403 C404 -0.9(7) . . . . ?
P401 C402 C403 C404 178.0(3) . . . . ?
C402 C403 C404 C405 0.6(6) . . . . ?
C403 C404 C405 C406 1.7(7) . . . . ?
C404 C405 C406 C401 -3.6(7) . . . . ?
C402 C401 C406 C405 3.2(6) . . . . ?
B401 C401 C406 C405 -170.3(4) . . . . ?
C421 B401 C411 C412 61.9(6) . . . . ?
C401 B401 C411 C412 -145.2(4) . . . . ?
Cu4 B401 C411 C412 -22.3(5) . . . . ?
C421 B401 C411 C416 -118.8(5) . . . . ?
C401 B401 C411 C416 34.1(6) . . . . ?
Cu4 B401 C411 C416 156.9(3) . . . . ?
C416 C411 C412 C413 1.4(6) . . . . ?
B401 C411 C412 C413 -179.3(4) . . . . ?
C416 C411 C412 P402 -174.4(3) . . . . ?
B401 C411 C412 P402 4.9(6) . . . . ?
C451 P402 C412 C411 -107.9(3) . . . . ?
C461 P402 C412 C411 139.5(3) . . . . ?
Cu4 P402 C412 C411 17.3(4) . . . . ?
C451 P402 C412 C413 76.4(4) . . . . ?
C461 P402 C412 C413 -36.3(4) . . . . ?
Cu4 P402 C412 C413 -158.4(3) . . . . ?
C411 C412 C413 C414 -1.8(7) . . . . ?
P402 C412 C413 C414 173.7(4) . . . . ?
C412 C413 C414 C415 0.0(7) . . . . ?
C413 C414 C415 C416 2.3(8) . . . . ?
C414 C415 C416 C411 -2.8(7) . . . . ?
C412 C411 C416 C415 0.9(6) . . . . ?
B401 C411 C416 C415 -178.4(4) . . . . ?
C401 B401 C421 C426 37.1(6) . . . . ?
C411 B401 C421 C426 -168.3(4) . . . . ?
Cu4 B401 C421 C426 -68.7(4) . . . . ?
C401 B401 C421 C422 -134.1(4) . . . . ?
C411 B401 C421 C422 20.5(6) . . . . ?
Cu4 B401 C421 C422 120.1(4) . . . . ?
C426 C421 C422 C423 -0.4(7) . . . . ?
B401 C421 C422 C423 171.3(4) . . . . ?
C421 C422 C423 C424 2.6(7) . . . . ?
C422 C423 C424 C425 -2.6(7) . . . . ?
C423 C424 C425 C426 0.5(7) . . . . ?
C424 C425 C426 C421 1.7(7) . . . . ?
C422 C421 C426 C425 -1.7(6) . . . . ?
B401 C421 C426 C425 -173.3(4) . . . . ?
C402 P401 C431 C432 -64.2(4) . . . . ?
C441 P401 C431 C432 -173.1(3) . . . . ?
Cu4 P401 C431 C432 59.3(4) . . . . ?
C402 P401 C431 C433 173.0(3) . . . . ?
C441 P401 C431 C433 64.1(3) . . . . ?
Cu4 P401 C431 C433 -63.5(3) . . . . ?
C402 P401 C441 C442 57.2(4) . . . . ?
C431 P401 C441 C442 168.9(3) . . . . ?
Cu4 P401 C441 C442 -64.7(3) . . . . ?
C402 P401 C441 C443 -67.5(3) . . . . ?
C431 P401 C441 C443 44.2(4) . . . . ?
Cu4 P401 C441 C443 170.6(3) . . . . ?
C412 P402 C451 C452 -36.5(4) . . . . ?
C461 P402 C451 C452 76.1(3) . . . . ?
Cu4 P402 C451 C452 -154.1(3) . . . . ?
C412 P402 C451 C453 -167.8(3) . . . . ?
C461 P402 C451 C453 -55.3(3) . . . . ?
Cu4 P402 C451 C453 74.5(3) . . . . ?
C412 P402 C461 C463 -169.8(3) . . . . ?
C451 P402 C461 C463 77.9(3) . . . . ?
Cu4 P402 C461 C463 -53.5(3) . . . . ?
C412 P402 C461 C462 -47.6(3) . . . . ?
C451 P402 C461 C462 -159.9(3) . . . . ?
Cu4 P402 C461 C462 68.7(3) . . . . ?
