#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:48:05 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179514 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/11/4341118.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_4341118
loop_
_publ_author_name
'Yang, Xiang-Yuan'
'Li, Yongxin'
'Pullarkat, Sumod A.'
_publ_section_title
;
 A one-pot diastereoselective self assembly of C-stereogenic copper(i)
 diphosphine clusters.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10232
_journal_page_last               10239
_journal_paper_doi               10.1021/ic501233w
_journal_volume                  53
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_sum            'C150 H132 Cl18 Cu6 O6 P6'
_chemical_formula_weight         3235.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 105.650(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.8580(18)
_cell_length_b                   17.4887(10)
_cell_length_c                   28.7963(17)
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      2.42
_cell_volume                     14479.3(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0739
_diffrn_reflns_av_sigmaI/netI    0.1481
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            78054
_diffrn_reflns_theta_full        30.59
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    1.319
_exptl_absorpt_correction_T_max  0.9018
_exptl_absorpt_correction_T_min  0.6205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6600
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.497
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.186
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.005(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1713
_refine_ls_number_reflns         37663
_refine_ls_number_restraints     140
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1405
_refine_ls_R_factor_gt           0.0672
_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)+(0.0953P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1511
_refine_ls_wR_factor_ref         0.1983
_reflns_number_gt                21874
_reflns_number_total             37663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501233w_si_003.cif
_cod_data_source_block           leung685
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4341116--4341121.cif.
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4341118
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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
Cu1 Cu 0.63528(3) 0.39051(5) 0.23465(3) 0.02216(19) Uani 1 1 d . . .
Cu2 Cu 0.56678(3) 0.37246(5) 0.30391(3) 0.0235(2) Uani 1 1 d . . .
Cu3 Cu 0.51943(3) 0.24229(5) 0.23363(3) 0.0235(2) Uani 1 1 d . . .
Cu4 Cu 0.59269(3) 0.12904(5) 0.30736(3) 0.0255(2) Uani 1 1 d . . .
Cu5 Cu 0.65358(3) 0.14655(5) 0.23851(3) 0.02288(19) Uani 1 1 d . . .
Cu6 Cu 0.70461(3) 0.28737(5) 0.31045(3) 0.0237(2) Uani 1 1 d . . .
C1 C 0.6583(2) 0.4814(5) 0.1393(3) 0.0278(17) Uani 1 1 d . . .
C2 C 0.6787(3) 0.4141(5) 0.1304(3) 0.0309(19) Uani 1 1 d . . .
H2 H 0.6907 0.3788 0.1558 0.037 Uiso 1 1 calc R . .
C3 C 0.6814(3) 0.3987(5) 0.0851(3) 0.039(2) Uani 1 1 d . . .
H3 H 0.6960 0.3526 0.0795 0.046 Uiso 1 1 calc R . .
C4 C 0.6641(3) 0.4468(5) 0.0473(3) 0.038(2) Uani 1 1 d . . .
H4 H 0.6655 0.4338 0.0157 0.046 Uiso 1 1 calc R . .
C5 C 0.6446(3) 0.5140(5) 0.0560(3) 0.039(2) Uani 1 1 d . . .
H5 H 0.6330 0.5491 0.0304 0.047 Uiso 1 1 calc R . .
C6 C 0.6417(3) 0.5311(5) 0.1017(3) 0.0327(18) Uani 1 1 d . . .
H6 H 0.6279 0.5779 0.1073 0.039 Uiso 1 1 calc R . .
C7 C 0.7043(2) 0.5461(4) 0.2324(2) 0.0197(14) Uani 1 1 d . . .
C8 C 0.7265(2) 0.5955(4) 0.2082(3) 0.0268(16) Uani 1 1 d . . .
H8 H 0.7157 0.6004 0.1742 0.032 Uiso 1 1 calc R . .
C9 C 0.7646(2) 0.6380(4) 0.2340(3) 0.0288(17) Uani 1 1 d . . .
H9 H 0.7796 0.6725 0.2177 0.035 Uiso 1 1 calc R . .
C10 C 0.7805(2) 0.6294(5) 0.2839(3) 0.0315(18) Uani 1 1 d . . .
H10 H 0.8064 0.6582 0.3016 0.038 Uiso 1 1 calc R . .
C11 C 0.7586(3) 0.5792(5) 0.3077(3) 0.0368(19) Uani 1 1 d . . .
H11 H 0.7694 0.5732 0.3416 0.044 Uiso 1 1 calc R . .
C12 C 0.7204(2) 0.5375(4) 0.2813(3) 0.0274(16) Uani 1 1 d . . .
H12 H 0.7054 0.5026 0.2975 0.033 Uiso 1 1 calc R . .
C13 C 0.6084(2) 0.5756(4) 0.1922(3) 0.0232(15) Uani 1 1 d . . .
H13 H 0.6191 0.6162 0.1732 0.028 Uiso 1 1 calc R . .
C14 C 0.5598(2) 0.5494(4) 0.1619(2) 0.0196(14) Uani 1 1 d . . .
H14A H 0.5633 0.5169 0.1350 0.023 Uiso 1 1 calc R . .
H14B H 0.5449 0.5184 0.1823 0.023 Uiso 1 1 calc R . .
C15 C 0.5288(2) 0.6176(4) 0.1417(3) 0.0249(16) Uani 1 1 d . . .
C16 C 0.4776(2) 0.6026(4) 0.1198(3) 0.0262(16) Uani 1 1 d . . .
C17 C 0.4478(3) 0.6653(5) 0.1101(3) 0.0331(18) Uani 1 1 d . . .
H17 H 0.4600 0.7153 0.1179 0.040 Uiso 1 1 calc R . .
C18 C 0.4010(3) 0.6561(5) 0.0895(3) 0.040(2) Uani 1 1 d . . .
H18 H 0.3810 0.6994 0.0836 0.048 Uiso 1 1 calc R . .
C19 C 0.3830(3) 0.5837(5) 0.0772(3) 0.0320(18) Uani 1 1 d . . .
H19 H 0.3507 0.5774 0.0624 0.038 Uiso 1 1 calc R . .
C20 C 0.4116(3) 0.5212(5) 0.0863(3) 0.0329(18) Uani 1 1 d . . .
H20 H 0.3992 0.4717 0.0774 0.039 Uiso 1 1 calc R . .
C21 C 0.4593(2) 0.5299(5) 0.1086(3) 0.0283(17) Uani 1 1 d . . .
H21 H 0.4788 0.4862 0.1161 0.034 Uiso 1 1 calc R . .
C22 C 0.6073(2) 0.6109(4) 0.2395(2) 0.0198(14) Uani 1 1 d . . .
C23 C 0.6214(2) 0.6860(4) 0.2509(3) 0.0285(17) Uani 1 1 d . . .
H23 H 0.6331 0.7158 0.2292 0.034 Uiso 1 1 calc R . .
C24 C 0.6182(3) 0.7170(5) 0.2945(3) 0.0333(18) Uani 1 1 d . . .
H24 H 0.6273 0.7685 0.3022 0.040 Uiso 1 1 calc R . .
C25 C 0.6020(2) 0.6739(4) 0.3265(3) 0.0251(16) Uani 1 1 d . . .
H25 H 0.6002 0.6960 0.3561 0.030 Uiso 1 1 calc R . .
C26 C 0.5880(2) 0.5975(4) 0.3162(3) 0.0227(15) Uani 1 1 d . . .
C27 C 0.5914(2) 0.5675(4) 0.2726(2) 0.0201(14) Uani 1 1 d . . .
H27 H 0.5826 0.5158 0.2650 0.024 Uiso 1 1 calc R . .
C28 C 0.5708(2) 0.5530(4) 0.3529(2) 0.0253(16) Uani 1 1 d . . .
H28 H 0.5531 0.5887 0.3686 0.030 Uiso 1 1 calc R . .
C29 C 0.6129(3) 0.5187(5) 0.3933(3) 0.0281(17) Uani 1 1 d . . .
H29A H 0.6156 0.4636 0.3866 0.034 Uiso 1 1 calc R . .
H29B H 0.6419 0.5440 0.3910 0.034 Uiso 1 1 calc R . .
C30 C 0.6092(3) 0.5269(5) 0.4435(3) 0.0288(17) Uani 1 1 d . . .
C31 C 0.6428(3) 0.4783(5) 0.4820(3) 0.0291(17) Uani 1 1 d . . .
C32 C 0.6466(3) 0.4963(5) 0.5294(3) 0.0318(18) Uani 1 1 d . . .
H32 H 0.6300 0.5384 0.5374 0.038 Uiso 1 1 calc R . .
C33 C 0.6754(3) 0.4514(6) 0.5658(3) 0.044(2) Uani 1 1 d . . .
H33 H 0.6781 0.4628 0.5987 0.053 Uiso 1 1 calc R . .
C34 C 0.6996(3) 0.3906(6) 0.5540(3) 0.045(2) Uani 1 1 d . . .
H34 H 0.7185 0.3596 0.5787 0.055 Uiso 1 1 calc R . .
C35 C 0.6965(3) 0.3753(5) 0.5066(3) 0.043(2) Uani 1 1 d . . .
H35 H 0.7143 0.3347 0.4988 0.052 Uiso 1 1 calc R . .
C36 C 0.6680(2) 0.4176(4) 0.4702(3) 0.0279(16) Uani 1 1 d . . .
H36 H 0.6655 0.4057 0.4374 0.033 Uiso 1 1 calc R . .
C37 C 0.5037(2) 0.4537(4) 0.3744(2) 0.0225(15) Uani 1 1 d . . .
C38 C 0.4774(2) 0.5097(5) 0.3895(3) 0.0298(17) Uani 1 1 d . . .
H38 H 0.4732 0.5583 0.3741 0.036 Uiso 1 1 calc R . .
C39 C 0.4575(3) 0.4951(5) 0.4263(3) 0.0325(19) Uani 1 1 d . . .
H39 H 0.4407 0.5342 0.4372 0.039 Uiso 1 1 calc R . .
C40 C 0.4618(3) 0.4241(5) 0.4473(3) 0.0335(19) Uani 1 1 d . . .
H40 H 0.4468 0.4135 0.4718 0.040 Uiso 1 1 calc R . .
C41 C 0.4878(3) 0.3681(5) 0.4332(3) 0.0353(19) Uani 1 1 d . . .
H41 H 0.4909 0.3195 0.4485 0.042 Uiso 1 1 calc R . .
C42 C 0.5096(2) 0.3816(5) 0.3969(3) 0.0294(17) Uani 1 1 d . . .
H42 H 0.5279 0.3432 0.3876 0.035 Uiso 1 1 calc R . .
C43 C 0.4848(2) 0.5155(4) 0.2796(3) 0.0240(15) Uani 1 1 d . . .
C44 C 0.4735(3) 0.5925(4) 0.2764(3) 0.0281(16) Uani 1 1 d . . .
H44 H 0.4917 0.6277 0.2988 0.034 Uiso 1 1 calc R . .
C45 C 0.4358(3) 0.6178(5) 0.2409(3) 0.037(2) Uani 1 1 d . . .
H45 H 0.4285 0.6708 0.2388 0.045 Uiso 1 1 calc R . .
C46 C 0.4088(3) 0.5681(5) 0.2083(3) 0.0346(19) Uani 1 1 d . . .
H46 H 0.3829 0.5867 0.1839 0.041 Uiso 1 1 calc R . .
C47 C 0.4188(3) 0.4926(6) 0.2108(3) 0.038(2) Uani 1 1 d . . .
H47 H 0.3994 0.4583 0.1886 0.045 Uiso 1 1 calc R . .
C48 C 0.4573(2) 0.4647(4) 0.2454(3) 0.0263(16) Uani 1 1 d . . .
H48 H 0.4650 0.4119 0.2460 0.032 Uiso 1 1 calc R . .
C49 C 0.4063(2) 0.2698(4) 0.2369(3) 0.0256(15) Uani 1 1 d U . .
C50 C 0.3600(2) 0.2869(4) 0.2162(3) 0.0305(17) Uani 1 1 d U . .
H50 H 0.3464 0.2772 0.1829 0.037 Uiso 1 1 calc R . .
C51 C 0.3336(3) 0.3179(5) 0.2439(3) 0.042(2) Uani 1 1 d . . .
H51 H 0.3018 0.3294 0.2293 0.050 Uiso 1 1 calc R . .
C52 C 0.3519(3) 0.3327(5) 0.2917(3) 0.038(2) Uani 1 1 d . . .
H52 H 0.3328 0.3531 0.3103 0.046 Uiso 1 1 calc R . .
C53 C 0.3991(3) 0.3175(5) 0.3132(3) 0.038(2) Uani 1 1 d . . .
H53 H 0.4128 0.3294 0.3461 0.045 Uiso 1 1 calc R . .
C54 C 0.4254(3) 0.2849(5) 0.2854(3) 0.0343(17) Uani 1 1 d U . .
H54 H 0.4571 0.2726 0.2999 0.041 Uiso 1 1 calc R . .
C55 C 0.4217(2) 0.2537(4) 0.1407(3) 0.0254(16) Uani 1 1 d . . .
C56 C 0.3807(3) 0.2257(5) 0.1093(3) 0.0354(19) Uani 1 1 d . . .
H56 H 0.3613 0.1924 0.1213 0.042 Uiso 1 1 calc R . .
C57 C 0.3680(3) 0.2457(5) 0.0614(3) 0.041(2) Uani 1 1 d . . .
H57 H 0.3402 0.2250 0.0408 0.049 Uiso 1 1 calc R . .
C58 C 0.3943(3) 0.2944(5) 0.0427(3) 0.0358(19) Uani 1 1 d . . .
H58 H 0.3851 0.3074 0.0095 0.043 Uiso 1 1 calc R . .
C59 C 0.4347(3) 0.3248(5) 0.0731(3) 0.0336(18) Uani 1 1 d . . .
H59 H 0.4533 0.3597 0.0611 0.040 Uiso 1 1 calc R . .
C60 C 0.4474(3) 0.3035(4) 0.1211(3) 0.0325(18) Uani 1 1 d . . .
H60 H 0.4752 0.3242 0.1416 0.039 Uiso 1 1 calc R . .
C61 C 0.4227(2) 0.1243(4) 0.2014(3) 0.0261(16) Uani 1 1 d . . .
H61 H 0.3888 0.1256 0.1842 0.031 Uiso 1 1 calc R . .
C62 C 0.4466(3) 0.0748(4) 0.1704(3) 0.0303(17) Uani 1 1 d . . .
H62A H 0.4553 0.1079 0.1463 0.036 Uiso 1 1 calc R . .
H62B H 0.4755 0.0527 0.1915 0.036 Uiso 1 1 calc R . .
C63 C 0.4158(2) 0.0103(4) 0.1443(2) 0.0228(15) Uani 1 1 d . . .
C64 C 0.4363(3) -0.0444(5) 0.1158(3) 0.0323(18) Uani 1 1 d . . .
C65 C 0.4050(3) -0.0902(6) 0.0818(3) 0.044(2) Uani 1 1 d . . .
H65 H 0.3725 -0.0853 0.0774 0.052 Uiso 1 1 calc R . .
C66 C 0.4216(3) -0.1411(6) 0.0553(3) 0.049(2) Uani 1 1 d . . .
H66 H 0.4001 -0.1715 0.0324 0.059 Uiso 1 1 calc R . .
C67 C 0.4673(3) -0.1506(5) 0.0601(3) 0.044(2) Uani 1 1 d . . .
H67 H 0.4780 -0.1858 0.0404 0.053 Uiso 1 1 calc R . .
C68 C 0.4989(3) -0.1068(6) 0.0951(4) 0.067(3) Uani 1 1 d . . .
H68 H 0.5314 -0.1140 0.1006 0.081 Uiso 1 1 calc R . .
C69 C 0.4822(3) -0.0542(6) 0.1209(4) 0.053(3) Uani 1 1 d . . .
H69 H 0.5037 -0.0232 0.1435 0.063 Uiso 1 1 calc R . .
C70 C 0.4267(2) 0.0910(4) 0.2500(3) 0.0286(17) Uani 1 1 d . . .
C71 C 0.3873(3) 0.0692(5) 0.2643(3) 0.0354(19) Uani 1 1 d . . .
H71 H 0.3573 0.0792 0.2436 0.043 Uiso 1 1 calc R . .
C72 C 0.3913(3) 0.0335(5) 0.3080(3) 0.0337(19) Uani 1 1 d . . .
H72 H 0.3642 0.0177 0.3166 0.040 Uiso 1 1 calc R . .
C73 C 0.4357(3) 0.0204(5) 0.3400(3) 0.0317(18) Uani 1 1 d . . .
H73 H 0.4386 -0.0039 0.3702 0.038 Uiso 1 1 calc R . .
C74 C 0.4752(2) 0.0437(4) 0.3268(3) 0.0258(16) Uani 1 1 d . . .
C75 C 0.4704(2) 0.0786(4) 0.2826(3) 0.0284(17) Uani 1 1 d . . .
H75 H 0.4975 0.0947 0.2740 0.034 Uiso 1 1 calc R . .
C76 C 0.5224(2) 0.0297(4) 0.3624(3) 0.0285(17) Uani 1 1 d . . .
H76 H 0.5207 -0.0186 0.3805 0.034 Uiso 1 1 calc R . .
C77 C 0.5357(3) 0.0972(4) 0.3994(3) 0.0323(18) Uani 1 1 d . . .
H77A H 0.5633 0.1233 0.3942 0.039 Uiso 1 1 calc R . .
H77B H 0.5098 0.1345 0.3922 0.039 Uiso 1 1 calc R . .
C78 C 0.5458(3) 0.0764(5) 0.4508(3) 0.039(2) Uani 1 1 d . . .
C79 C 0.5656(3) 0.1371(5) 0.4876(3) 0.0350(19) Uani 1 1 d . . .
C80 C 0.5713(3) 0.1190(6) 0.5367(3) 0.049(2) Uani 1 1 d . . .
H80 H 0.5619 0.0709 0.5461 0.059 Uiso 1 1 calc R . .
C81 C 0.5914(3) 0.1744(6) 0.5710(3) 0.050(3) Uani 1 1 d . . .
H81 H 0.5970 0.1623 0.6042 0.060 Uiso 1 1 calc R . .
C82 C 0.6034(3) 0.2469(6) 0.5579(4) 0.050(3) Uani 1 1 d . . .
H82 H 0.6164 0.2837 0.5821 0.061 Uiso 1 1 calc R . .
C83 C 0.5965(3) 0.2647(6) 0.5109(3) 0.044(2) Uani 1 1 d . . .
H83 H 0.6042 0.3142 0.5018 0.053 Uiso 1 1 calc R . .
C84 C 0.5776(3) 0.2086(6) 0.4746(3) 0.040(2) Uani 1 1 d . . .
H84 H 0.5733 0.2207 0.4415 0.049 Uiso 1 1 calc R . .
C85 C 0.6135(3) -0.0288(4) 0.3807(3) 0.0301(17) Uani 1 1 d . . .
C86 C 0.6036(3) -0.1019(5) 0.3963(3) 0.046(2) Uani 1 1 d . . .
H86 H 0.5746 -0.1257 0.3823 0.055 Uiso 1 1 calc R . .
C87 C 0.6372(3) -0.1386(5) 0.4328(4) 0.053(3) Uani 1 1 d . . .
H87 H 0.6307 -0.1878 0.4433 0.063 Uiso 1 1 calc R . .
C88 C 0.6791(3) -0.1056(5) 0.4535(3) 0.042(2) Uani 1 1 d . . .
H88 H 0.7017 -0.1326 0.4774 0.050 Uiso 1 1 calc R . .
C89 C 0.6892(3) -0.0305(5) 0.4396(3) 0.0362(19) Uani 1 1 d . . .
H89 H 0.7179 -0.0065 0.4548 0.043 Uiso 1 1 calc R . .
C90 C 0.6554(3) 0.0074(5) 0.4026(3) 0.0327(18) Uani 1 1 d . . .
H90 H 0.6614 0.0574 0.3929 0.039 Uiso 1 1 calc R . .
C91 C 0.5526(2) -0.0550(4) 0.2876(3) 0.0274(16) Uani 1 1 d . . .
C92 C 0.5168(3) -0.1095(5) 0.2845(3) 0.0359(19) Uani 1 1 d . . .
H92 H 0.4977 -0.1067 0.3060 0.043 Uiso 1 1 calc R . .
C93 C 0.5099(3) -0.1651(5) 0.2513(3) 0.044(2) Uani 1 1 d . . .
H93 H 0.4863 -0.2021 0.2504 0.053 Uiso 1 1 calc R . .
C94 C 0.5358(3) -0.1705(5) 0.2181(3) 0.041(2) Uani 1 1 d . . .
H94 H 0.5301 -0.2105 0.1949 0.049 Uiso 1 1 calc R . .
C95 C 0.5695(3) -0.1183(5) 0.2191(3) 0.043(2) Uani 1 1 d . . .
H95 H 0.5875 -0.1215 0.1966 0.051 Uiso 1 1 calc R . .
C96 C 0.5776(3) -0.0607(4) 0.2526(3) 0.0302(17) Uani 1 1 d . . .
H96 H 0.6007 -0.0236 0.2522 0.036 Uiso 1 1 calc R . .
C97 C 0.6985(2) -0.0357(4) 0.2465(3) 0.0210(15) Uani 1 1 d . . .
C98 C 0.7017(2) -0.0317(4) 0.2951(3) 0.0276(16) Uani 1 1 d . . .
H98 H 0.6972 0.0159 0.3091 0.033 Uiso 1 1 calc R . .
C99 C 0.7116(3) -0.0981(5) 0.3243(3) 0.0362(19) Uani 1 1 d . . .
H99 H 0.7139 -0.0955 0.3578 0.043 Uiso 1 1 calc R . .
C100 C 0.7179(3) -0.1668(5) 0.3032(3) 0.0326(18) Uani 1 1 d . . .
H100 H 0.7243 -0.2117 0.3224 0.039 Uiso 1 1 calc R . .
C101 C 0.7150(3) -0.1710(5) 0.2558(3) 0.0321(18) Uani 1 1 d . . .
H101 H 0.7200 -0.2186 0.2421 0.039 Uiso 1 1 calc R . .
C102 C 0.7048(3) -0.1060(4) 0.2267(3) 0.0289(17) Uani 1 1 d . . .
H102 H 0.7022 -0.1099 0.1931 0.035 Uiso 1 1 calc R . .
C103 C 0.6581(3) 0.0233(4) 0.1490(3) 0.0257(16) Uani 1 1 d . . .
C104 C 0.6812(3) -0.0030(5) 0.1162(3) 0.0334(18) Uani 1 1 d . . .
H104 H 0.7140 -0.0105 0.1260 0.040 Uiso 1 1 calc R . .
C105 C 0.6560(3) -0.0184(5) 0.0688(3) 0.043(2) Uani 1 1 d . . .
H105 H 0.6717 -0.0348 0.0459 0.051 Uiso 1 1 calc R . .
C106 C 0.6075(3) -0.0097(5) 0.0550(3) 0.045(2) Uani 1 1 d . . .
H106 H 0.5903 -0.0215 0.0230 0.054 Uiso 1 1 calc R . .
C107 C 0.5849(3) 0.0160(6) 0.0879(3) 0.049(2) Uani 1 1 d . . .
H107 H 0.5521 0.0234 0.0785 0.058 Uiso 1 1 calc R . .
C108 C 0.6102(3) 0.0309(5) 0.1345(3) 0.037(2) Uani 1 1 d . . .
H108 H 0.5944 0.0469 0.1574 0.045 Uiso 1 1 calc R . .
C109 C 0.7483(2) 0.0727(4) 0.2057(3) 0.0249(16) Uani 1 1 d . . .
H109 H 0.7577 0.0278 0.1890 0.030 Uiso 1 1 calc R . .
C110 C 0.7475(2) 0.1425(4) 0.1731(2) 0.0228(15) Uani 1 1 d . . .
H11A H 0.7149 0.1539 0.1555 0.027 Uiso 1 1 calc R . .
H11B H 0.7599 0.1873 0.1936 0.027 Uiso 1 1 calc R . .
C111 C 0.7753(2) 0.1314(4) 0.1373(3) 0.0262(16) Uani 1 1 d . . .
C112 C 0.7790(2) 0.1983(4) 0.1060(3) 0.0244(15) Uani 1 1 d . . .
C113 C 0.7727(3) 0.1863(5) 0.0573(3) 0.0322(18) Uani 1 1 d . . .
H113 H 0.7652 0.1368 0.0439 0.039 Uiso 1 1 calc R . .
C114 C 0.7776(3) 0.2477(5) 0.0277(3) 0.0348(19) Uani 1 1 d . . .
H114 H 0.7724 0.2402 -0.0060 0.042 Uiso 1 1 calc R . .
C115 C 0.7896(3) 0.3181(5) 0.0473(3) 0.043(2) Uani 1 1 d . . .
H115 H 0.7931 0.3597 0.0273 0.052 Uiso 1 1 calc R . .
C116 C 0.7968(3) 0.3291(5) 0.0964(3) 0.039(2) Uani 1 1 d . . .
H116 H 0.8058 0.3781 0.1100 0.047 Uiso 1 1 calc R . .
C117 C 0.7912(3) 0.2702(5) 0.1259(3) 0.0348(19) Uani 1 1 d . . .
H117 H 0.7955 0.2786 0.1594 0.042 Uiso 1 1 calc R . .
C118 C 0.7836(2) 0.0787(4) 0.2550(3) 0.0236(15) Uani 1 1 d . . .
C119 C 0.8215(2) 0.0284(5) 0.2667(3) 0.0294(17) Uani 1 1 d . . .
H119 H 0.8242 -0.0113 0.2451 0.035 Uiso 1 1 calc R . .
C120 C 0.8556(3) 0.0375(5) 0.3108(3) 0.039(2) Uani 1 1 d . . .
H120 H 0.8815 0.0039 0.3190 0.046 Uiso 1 1 calc R . .
C121 C 0.8514(3) 0.0950(5) 0.3422(3) 0.0351(19) Uani 1 1 d . . .
H121 H 0.8747 0.1005 0.3718 0.042 Uiso 1 1 calc R . .
C122 C 0.8134(2) 0.1456(4) 0.3310(3) 0.0247(15) Uani 1 1 d . . .
C123 C 0.7798(2) 0.1364(4) 0.2873(2) 0.0204(14) Uani 1 1 d . . .
H123 H 0.7538 0.1699 0.2792 0.025 Uiso 1 1 calc R . .
C124 C 0.8091(2) 0.2064(4) 0.3669(3) 0.0250(16) Uani 1 1 d . . .
H124 H 0.8414 0.2202 0.3858 0.030 Uiso 1 1 calc R . .
C125 C 0.7830(3) 0.1791(5) 0.4034(3) 0.0306(18) Uani 1 1 d . . .
H12A H 0.7526 0.2057 0.3962 0.037 Uiso 1 1 calc R . .
H12B H 0.7765 0.1237 0.3983 0.037 Uiso 1 1 calc R . .
C126 C 0.8076(3) 0.1915(4) 0.4559(3) 0.0284(17) Uani 1 1 d . . .
C127 C 0.7794(2) 0.1816(4) 0.4921(3) 0.0256(16) Uani 1 1 d . . .
C128 C 0.8036(3) 0.1824(5) 0.5411(3) 0.0328(18) Uani 1 1 d . . .
H128 H 0.8366 0.1868 0.5507 0.039 Uiso 1 1 calc R . .
C129 C 0.7788(3) 0.1766(5) 0.5754(3) 0.0347(19) Uani 1 1 d . . .
H129 H 0.7951 0.1761 0.6087 0.042 Uiso 1 1 calc R . .
C130 C 0.7313(3) 0.1716(5) 0.5619(3) 0.036(2) Uani 1 1 d . . .
H130 H 0.7145 0.1686 0.5856 0.044 Uiso 1 1 calc R . .
C131 C 0.7085(3) 0.1709(5) 0.5142(3) 0.039(2) Uani 1 1 d . . .
H131 H 0.6755 0.1672 0.5050 0.047 Uiso 1 1 calc R . .
C132 C 0.7315(2) 0.1754(4) 0.4786(3) 0.0297(17) Uani 1 1 d . . .
H132 H 0.7146 0.1742 0.4455 0.036 Uiso 1 1 calc R . .
C133 C 0.8019(2) 0.3682(4) 0.3847(2) 0.0263(16) Uani 1 1 d . . .
C134 C 0.8492(3) 0.3794(5) 0.4056(3) 0.0355(19) Uani 1 1 d . . .
H134 H 0.8711 0.3459 0.3976 0.043 Uiso 1 1 calc R . .
C135 C 0.8649(3) 0.4386(5) 0.4379(3) 0.039(2) Uani 1 1 d . . .
H135 H 0.8973 0.4469 0.4512 0.047 Uiso 1 1 calc R . .
C136 C 0.8321(3) 0.4864(5) 0.4509(3) 0.0339(18) Uani 1 1 d . . .
H136 H 0.8425 0.5269 0.4732 0.041 Uiso 1 1 calc R . .
C137 C 0.7855(3) 0.4746(5) 0.4317(3) 0.038(2) Uani 1 1 d . . .
H137 H 0.7636 0.5066 0.4408 0.046 Uiso 1 1 calc R . .
C138 C 0.7699(3) 0.4151(5) 0.3982(3) 0.0297(17) Uani 1 1 d . . .
H138 H 0.7375 0.4070 0.3849 0.036 Uiso 1 1 calc R . .
C139 C 0.8126(3) 0.3226(4) 0.2948(2) 0.0238(15) Uani 1 1 d . . .
C140 C 0.8582(3) 0.2995(5) 0.2980(3) 0.0318(18) Uani 1 1 d . . .
H140 H 0.8735 0.2646 0.3224 0.038 Uiso 1 1 calc R . .
C141 C 0.8812(3) 0.3273(5) 0.2658(3) 0.041(2) Uani 1 1 d . . .
H141 H 0.9122 0.3120 0.2681 0.049 Uiso 1 1 calc R . .
C142 C 0.8583(3) 0.3778(5) 0.2301(3) 0.047(2) Uani 1 1 d . . .
H142 H 0.8740 0.3969 0.2078 0.056 Uiso 1 1 calc R . .
C143 C 0.8123(3) 0.4015(5) 0.2261(3) 0.039(2) Uani 1 1 d . . .
H143 H 0.7972 0.4359 0.2013 0.047 Uiso 1 1 calc R . .
C144 C 0.7898(3) 0.3747(4) 0.2579(3) 0.0314(17) Uani 1 1 d . . .
H144 H 0.7589 0.3906 0.2555 0.038 Uiso 1 1 calc R . .
C145 C 0.5848(3) 0.2683(7) 0.1144(3) 0.054(3) Uani 1 1 d . . .
H14C H 0.6032 0.2877 0.1462 0.065 Uiso 1 1 calc R . .
H14D H 0.5602 0.2343 0.1200 0.065 Uiso 1 1 calc R . .
C146 C 0.7716(3) 0.5527(5) 0.0945(4) 0.053(3) Uani 1 1 d . . .
H14E H 0.7423 0.5244 0.0921 0.064 Uiso 1 1 calc R . .
H14F H 0.7956 0.5329 0.1228 0.064 Uiso 1 1 calc R . .
C148 C 0.3040(3) 0.3970(5) 0.1083(3) 0.038(2) Uani 1 1 d . . .
H14G H 0.3125 0.4383 0.1326 0.046 Uiso 1 1 calc R . .
H14H H 0.3322 0.3662 0.1099 0.046 Uiso 1 1 calc R . .
C149 C 0.5026(3) 0.7255(6) 0.4356(3) 0.053(3) Uani 1 1 d . . .
H14I H 0.5218 0.6792 0.4457 0.063 Uiso 1 1 calc R . .
H14J H 0.5171 0.7680 0.4572 0.063 Uiso 1 1 calc R . .
C150 C 1.0000 0.6752(15) 0.0000 0.154(10) Uani 1 2 d SU . .
H15A H 0.9754 0.7089 -0.0195 0.185 Uiso 0.50 1 calc PR . .
H15B H 1.0246 0.7089 0.0195 0.185 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.55423(5) 0.35846(10) 0.21650(6) 0.0209(3) Uani 1 1 d . . .
Cl2 Cl 0.65107(5) 0.37921(10) 0.32211(6) 0.0205(3) Uani 1 1 d . . .
Cl3 Cl 0.55329(6) 0.24433(10) 0.32190(6) 0.0224(4) Uani 1 1 d . . .
Cl4 Cl 0.57035(6) 0.14524(10) 0.21908(6) 0.0240(4) Uani 1 1 d . . .
Cl5 Cl 0.67073(6) 0.16761(10) 0.32617(6) 0.0218(4) Uani 1 1 d . . .
Cl6 Cl 0.67467(6) 0.27481(10) 0.22317(6) 0.0215(4) Uani 1 1 d . . .
Cl7 Cl 0.55844(8) 0.34613(16) 0.07849(9) 0.0539(6) Uani 1 1 d . . .
Cl8 Cl 0.62078(10) 0.21600(16) 0.08840(9) 0.0628(7) Uani 1 1 d . . .
Cl9 Cl 0.76291(8) 0.64991(14) 0.10204(9) 0.0505(6) Uani 1 1 d . . .
Cl10 Cl 0.78976(14) 0.53866(18) 0.04117(10) 0.0860(11) Uani 1 1 d . . .
C147 C 0.6132(5) 0.7876(11) 0.1079(6) 0.058(4) Uani 0.560(7) 1 d PDU A 1
H14K H 0.6179 0.8431 0.1045 0.069 Uiso 0.560(7) 1 calc PR A 1
H14L H 0.5923 0.7808 0.1290 0.069 Uiso 0.560(7) 1 calc PR A 1
Cl11 Cl 0.66618(16) 0.7454(3) 0.1348(2) 0.0489(14) Uani 0.560(7) 1 d PDU A 1
Cl12 Cl 0.5865(3) 0.7483(6) 0.0505(3) 0.143(4) Uani 0.560(7) 1 d PDU A 1
C47A C 0.6091(7) 0.7744(15) 0.0825(5) 0.050(5) Uani 0.440(7) 1 d PDU A 2
H47A H 0.6007 0.8262 0.0690 0.060 Uiso 0.440(7) 1 calc PR A 2
H47B H 0.5801 0.7485 0.0843 0.060 Uiso 0.440(7) 1 calc PR A 2
Cl1A Cl 0.6457(4) 0.7827(8) 0.1397(3) 0.105(4) Uani 0.440(7) 1 d PDU A 2
Cl2A Cl 0.6340(3) 0.7232(3) 0.04386(19) 0.059(2) Uani 0.440(7) 1 d PDU A 2
Cl13 Cl 0.28316(9) 0.43694(16) 0.05044(8) 0.0552(7) Uani 1 1 d . . .
Cl14 Cl 0.26010(8) 0.33812(14) 0.12092(9) 0.0515(6) Uani 1 1 d . . .
Cl15 Cl 0.50126(10) 0.74924(17) 0.37450(9) 0.0630(7) Uani 1 1 d . . .
Cl16 Cl 0.44621(8) 0.70888(16) 0.44139(9) 0.0521(6) Uani 1 1 d . . .
Cl19 Cl 0.97687(14) 0.6263(3) 0.03839(18) 0.1319(18) Uani 1 1 d U . .
O1 O 0.54451(18) 0.6809(3) 0.14211(19) 0.0329(13) Uani 1 1 d . . .
O2 O 0.5812(2) 0.5699(4) 0.45440(19) 0.0437(16) Uani 1 1 d . . .
O3 O 0.37558(18) 0.0053(3) 0.14639(19) 0.0372(14) Uani 1 1 d . . .
O4 O 0.5403(3) 0.0110(4) 0.4633(2) 0.080(3) Uani 1 1 d . . .
O5 O 0.79183(19) 0.0700(3) 0.13100(19) 0.0333(13) Uani 1 1 d . . .
O6 O 0.84839(18) 0.2088(4) 0.4690(2) 0.0477(17) Uani 1 1 d . . .
P1 P 0.65107(6) 0.49613(11) 0.20043(7) 0.0196(4) Uani 1 1 d . . .
P2 P 0.53205(6) 0.47229(11) 0.32625(7) 0.0202(4) Uani 1 1 d . . .
P3 P 0.44397(6) 0.22462(11) 0.20405(7) 0.0220(4) Uani 1 1 d U . .
P4 P 0.57012(7) 0.02076(11) 0.33288(7) 0.0257(4) Uani 1 1 d . . .
P5 P 0.68857(6) 0.05235(11) 0.21129(7) 0.0202(4) Uani 1 1 d . . .
P6 P 0.78104(6) 0.29533(11) 0.33829(7) 0.0212(4) Uani 1 1 d . . .
Cl20 Cl 0.5000 0.4812(2) 1.0000 0.0776(13) Uani 1 2 d SDU . .
Cl21 Cl 0.47389(18) 0.6399(3) 0.98919(18) 0.0606(14) Uani 0.50 1 d PDU B -1
C151 C 0.5215(6) 0.5756(7) 1.0070(7) 0.050(4) Uani 0.50 1 d PDU B -1
H15C H 0.5432 0.5835 0.9868 0.061 Uiso 0.50 1 calc PR B -1
H15D H 0.5387 0.5848 1.0411 0.061 Uiso 0.50 1 calc PR B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Cu1 Cl1 115.03(7) . .
P1 Cu1 Cl6 118.14(7) . .
Cl1 Cu1 Cl6 105.96(7) . .
P1 Cu1 Cl2 121.60(7) . .
Cl1 Cu1 Cl2 96.24(6) . .
Cl6 Cu1 Cl2 96.20(6) . .
P2 Cu2 Cl3 124.37(7) . .
P2 Cu2 Cl2 115.97(7) . .
Cl3 Cu2 Cl2 103.11(6) . .
P2 Cu2 Cl1 115.02(7) . .
Cl3 Cu2 Cl1 98.20(6) . .
Cl2 Cu2 Cl1 95.09(6) . .
P3 Cu3 Cl4 117.70(7) . .
P3 Cu3 Cl1 119.65(7) . .
Cl4 Cu3 Cl1 103.56(7) . .
P3 Cu3 Cl3 119.45(7) . .
Cl4 Cu3 Cl3 95.02(6) . .
Cl1 Cu3 Cl3 96.89(6) . .
P4 Cu4 Cl5 123.02(8) . .
P4 Cu4 Cl3 116.79(7) . .
Cl5 Cu4 Cl3 102.65(7) . .
P4 Cu4 Cl4 114.91(8) . .
Cl5 Cu4 Cl4 100.42(6) . .
Cl3 Cu4 Cl4 94.21(6) . .
P4 Cu4 Cu5 126.45(7) . .
Cl5 Cu4 Cu5 52.47(5) . .
Cl3 Cu4 Cu5 115.53(5) . .
Cl4 Cu4 Cu5 50.20(4) . .
P5 Cu5 Cl4 118.09(7) . .
P5 Cu5 Cl6 117.35(7) . .
Cl4 Cu5 Cl6 105.82(7) . .
P5 Cu5 Cl5 119.24(7) . .
Cl4 Cu5 Cl5 99.01(6) . .
Cl6 Cu5 Cl5 93.24(6) . .
P5 Cu5 Cu4 125.43(6) . .
Cl4 Cu5 Cu4 52.22(5) . .
Cl6 Cu5 Cu4 116.46(5) . .
Cl5 Cu5 Cu4 48.98(4) . .
P6 Cu6 Cl2 125.46(7) . .
P6 Cu6 Cl5 115.43(7) . .
Cl2 Cu6 Cl5 103.27(6) . .
P6 Cu6 Cl6 115.79(7) . .
Cl2 Cu6 Cl6 97.71(6) . .
Cl5 Cu6 Cl6 93.39(6) . .
C6 C1 C2 118.4(7) . .
C6 C1 P1 123.6(6) . .
C2 C1 P1 117.8(6) . .
C3 C2 C1 119.5(8) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C2 C3 C4 122.5(8) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
C3 C4 C5 118.3(7) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
C4 C5 C6 120.2(8) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C1 C6 C5 121.0(8) . .
C1 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
C12 C7 C8 120.2(7) . .
C12 C7 P1 118.8(5) . .
C8 C7 P1 120.8(5) . .
C7 C8 C9 119.8(7) . .
C7 C8 H8 120.1 . .
C9 C8 H8 120.1 . .
C8 C9 C10 119.5(7) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C11 C10 C9 120.3(7) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 119.3(8) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C7 C12 C11 120.8(7) . .
C7 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C22 C13 C14 112.7(5) . .
C22 C13 P1 111.9(5) . .
C14 C13 P1 110.9(5) . .
C22 C13 H13 107.0 . .
C14 C13 H13 107.0 . .
P1 C13 H13 107.0 . .
C15 C14 C13 111.4(6) . .
C15 C14 H14A 109.4 . .
C13 C14 H14A 109.4 . .
C15 C14 H14B 109.4 . .
C13 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
O1 C15 C16 120.9(6) . .
O1 C15 C14 121.4(6) . .
C16 C15 C14 117.7(6) . .
C21 C16 C17 118.9(7) . .
C21 C16 C15 123.2(6) . .
C17 C16 C15 117.8(7) . .
C18 C17 C16 121.1(8) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 119.8(8) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 120.2(7) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 120.4(8) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C16 C21 C20 119.6(7) . .
C16 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C23 C22 C27 119.4(6) . .
C23 C22 C13 121.4(6) . .
C27 C22 C13 119.2(6) . .
C22 C23 C24 119.3(7) . .
C22 C23 H23 120.4 . .
C24 C23 H23 120.4 . .
C25 C24 C23 120.9(7) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 121.0(7) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C27 C26 C25 117.4(7) . .
C27 C26 C28 124.0(7) . .
C25 C26 C28 118.6(6) . .
C26 C27 C22 122.1(7) . .
C26 C27 H27 119.0 . .
C22 C27 H27 119.0 . .
C26 C28 C29 111.0(6) . .
C26 C28 P2 113.2(5) . .
C29 C28 P2 107.3(5) . .
C26 C28 H28 108.4 . .
C29 C28 H28 108.4 . .
P2 C28 H28 108.4 . .
C30 C29 C28 115.3(6) . .
C30 C29 H29A 108.5 . .
C28 C29 H29A 108.5 . .
C30 C29 H29B 108.5 . .
C28 C29 H29B 108.5 . .
H29A C29 H29B 107.5 . .
O2 C30 C29 122.8(7) . .
O2 C30 C31 120.9(7) . .
C29 C30 C31 116.3(6) . .
C32 C31 C36 120.7(7) . .
C32 C31 C30 116.9(7) . .
C36 C31 C30 122.4(7) . .
C31 C32 C33 118.9(8) . .
C31 C32 H32 120.6 . .
C33 C32 H32 120.6 . .
C34 C33 C32 120.4(8) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C35 C34 C33 119.8(8) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C34 C35 C36 121.2(9) . .
C34 C35 H35 119.4 . .
C36 C35 H35 119.4 . .
C35 C36 C31 119.1(7) . .
C35 C36 H36 120.5 . .
C31 C36 H36 120.5 . .
C38 C37 C42 119.7(6) . .
C38 C37 P2 121.5(6) . .
C42 C37 P2 118.7(5) . .
C39 C38 C37 120.5(7) . .
C39 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C38 C39 C40 120.0(8) . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C39 C40 C41 120.5(7) . .
C39 C40 H40 119.7 . .
C41 C40 H40 119.7 . .
C40 C41 C42 120.9(8) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
C41 C42 C37 118.3(7) . .
C41 C42 H42 120.9 . .
C37 C42 H42 120.9 . .
C44 C43 C48 118.6(7) . .
C44 C43 P2 125.3(6) . .
C48 C43 P2 116.1(6) . .
C45 C44 C43 120.0(7) . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C46 C45 C44 121.2(8) . .
C46 C45 H45 119.4 . .
C44 C45 H45 119.4 . .
C47 C46 C45 120.1(8) . .
C47 C46 H46 119.9 . .
C45 C46 H46 119.9 . .
C46 C47 C48 120.7(8) . .
C46 C47 H47 119.7 . .
C48 C47 H47 119.7 . .
C47 C48 C43 119.4(7) . .
C47 C48 H48 120.3 . .
C43 C48 H48 120.3 . .
C50 C49 C54 119.1(7) . .
C50 C49 P3 123.5(6) . .
C54 C49 P3 117.4(5) . .
C51 C50 C49 119.9(8) . .
C51 C50 H50 120.1 . .
C49 C50 H50 120.1 . .
C52 C51 C50 121.7(8) . .
C52 C51 H51 119.1 . .
C50 C51 H51 119.1 . .
C51 C52 C53 119.3(7) . .
C51 C52 H52 120.3 . .
C53 C52 H52 120.3 . .
C54 C53 C52 118.8(8) . .
C54 C53 H53 120.6 . .
C52 C53 H53 120.6 . .
C49 C54 C53 121.2(7) . .
C49 C54 H54 119.4 . .
C53 C54 H54 119.4 . .
C60 C55 C56 116.3(7) . .
C60 C55 P3 119.3(5) . .
C56 C55 P3 124.3(6) . .
C57 C56 C55 121.1(8) . .
C57 C56 H56 119.5 . .
C55 C56 H56 119.5 . .
C58 C57 C56 121.5(8) . .
C58 C57 H57 119.2 . .
C56 C57 H57 119.2 . .
C57 C58 C59 118.9(8) . .
C57 C58 H58 120.5 . .
C59 C58 H58 120.5 . .
C60 C59 C58 119.0(8) . .
C60 C59 H59 120.5 . .
C58 C59 H59 120.5 . .
C55 C60 C59 123.1(7) . .
C55 C60 H60 118.4 . .
C59 C60 H60 118.4 . .
C70 C61 C62 113.0(6) . .
C70 C61 P3 113.1(5) . .
C62 C61 P3 110.2(5) . .
C70 C61 H61 106.7 . .
C62 C61 H61 106.7 . .
P3 C61 H61 106.7 . .
C63 C62 C61 113.0(6) . .
C63 C62 H62A 109.0 . .
C61 C62 H62A 109.0 . .
C63 C62 H62B 109.0 . .
C61 C62 H62B 109.0 . .
H62A C62 H62B 107.8 . .
O3 C63 C64 122.3(7) . .
O3 C63 C62 120.0(7) . .
C64 C63 C62 117.7(6) . .
C69 C64 C65 117.9(8) . .
C69 C64 C63 125.2(7) . .
C65 C64 C63 116.9(7) . .
C66 C65 C64 119.5(8) . .
C66 C65 H65 120.2 . .
C64 C65 H65 120.2 . .
C67 C66 C65 122.7(9) . .
C67 C66 H66 118.7 . .
C65 C66 H66 118.7 . .
C66 C67 C68 118.2(9) . .
C66 C67 H67 120.9 . .
C68 C67 H67 120.9 . .
C69 C68 C67 119.1(9) . .
C69 C68 H68 120.4 . .
C67 C68 H68 120.4 . .
C64 C69 C68 122.5(9) . .
C64 C69 H69 118.7 . .
C68 C69 H69 118.7 . .
C71 C70 C75 117.7(7) . .
C71 C70 C61 121.6(7) . .
C75 C70 C61 120.7(6) . .
C72 C71 C70 121.3(8) . .
C72 C71 H71 119.4 . .
C70 C71 H71 119.4 . .
C71 C72 C73 120.2(7) . .
C71 C72 H72 119.9 . .
C73 C72 H72 119.9 . .
C74 C73 C72 119.2(7) . .
C74 C73 H73 120.4 . .
C72 C73 H73 120.4 . .
C75 C74 C73 119.7(7) . .
C75 C74 C76 122.6(6) . .
C73 C74 C76 117.7(7) . .
C74 C75 C70 121.9(7) . .
C74 C75 H75 119.0 . .
C70 C75 H75 119.0 . .
C74 C76 C77 110.9(6) . .
C74 C76 P4 112.9(5) . .
C77 C76 P4 106.8(5) . .
C74 C76 H76 108.7 . .
C77 C76 H76 108.7 . .
P4 C76 H76 108.7 . .
C78 C77 C76 116.2(7) . .
C78 C77 H77A 108.2 . .
C76 C77 H77A 108.2 . .
C78 C77 H77B 108.2 . .
C76 C77 H77B 108.2 . .
H77A C77 H77B 107.4 . .
O4 C78 C77 121.3(8) . .
O4 C78 C79 120.7(8) . .
C77 C78 C79 118.0(7) . .
C84 C79 C80 120.2(9) . .
C84 C79 C78 122.0(7) . .
C80 C79 C78 117.8(8) . .
C81 C80 C79 117.7(10) . .
C81 C80 H80 121.2 . .
C79 C80 H80 121.2 . .
C80 C81 C82 122.1(9) . .
C80 C81 H81 118.9 . .
C82 C81 H81 118.9 . .
C83 C82 C81 119.9(9) . .
C83 C82 H82 120.1 . .
C81 C82 H82 120.1 . .
C82 C83 C84 119.7(10) . .
C82 C83 H83 120.1 . .
C84 C83 H83 120.1 . .
C79 C84 C83 120.2(8) . .
C79 C84 H84 119.9 . .
C83 C84 H84 119.9 . .
C90 C85 C86 120.3(7) . .
C90 C85 P4 119.5(6) . .
C86 C85 P4 120.2(6) . .
C87 C86 C85 119.2(8) . .
C87 C86 H86 120.4 . .
C85 C86 H86 120.4 . .
C88 C87 C86 121.5(9) . .
C88 C87 H87 119.3 . .
C86 C87 H87 119.3 . .
C87 C88 C89 120.4(8) . .
C87 C88 H88 119.8 . .
C89 C88 H88 119.8 . .
C90 C89 C88 118.6(8) . .
C90 C89 H89 120.7 . .
C88 C89 H89 120.7 . .
C85 C90 C89 119.9(8) . .
C85 C90 H90 120.1 . .
C89 C90 H90 120.1 . .
C96 C91 C92 116.3(7) . .
C96 C91 P4 117.1(6) . .
C92 C91 P4 126.6(6) . .
C93 C92 C91 120.1(8) . .
C93 C92 H92 119.9 . .
C91 C92 H92 119.9 . .
C92 C93 C94 122.2(8) . .
C92 C93 H93 118.9 . .
C94 C93 H93 118.9 . .
C95 C94 C93 119.3(8) . .
C95 C94 H94 120.4 . .
C93 C94 H94 120.4 . .
C94 C95 C96 120.1(8) . .
C94 C95 H95 120.0 . .
C96 C95 H95 120.0 . .
C95 C96 C91 121.9(7) . .
C95 C96 H96 119.1 . .
C91 C96 H96 119.1 . .
C98 C97 C102 118.9(7) . .
C98 C97 P5 118.5(6) . .
C102 C97 P5 122.5(5) . .
C97 C98 C99 120.4(7) . .
C97 C98 H98 119.8 . .
C99 C98 H98 119.8 . .
C100 C99 C98 118.9(7) . .
C100 C99 H99 120.6 . .
C98 C99 H99 120.6 . .
C101 C100 C99 121.0(8) . .
C101 C100 H100 119.5 . .
C99 C100 H100 119.5 . .
C100 C101 C102 120.6(8) . .
C100 C101 H101 119.7 . .
C102 C101 H101 119.7 . .
C97 C102 C101 120.2(7) . .
C97 C102 H102 119.9 . .
C101 C102 H102 119.9 . .
C108 C103 C104 119.2(7) . .
C108 C103 P5 117.6(6) . .
C104 C103 P5 123.1(6) . .
C103 C104 C105 119.6(8) . .
C103 C104 H104 120.2 . .
C105 C104 H104 120.2 . .
C104 C105 C106 119.9(8) . .
C104 C105 H105 120.0 . .
C106 C105 H105 120.0 . .
C107 C106 C105 120.1(8) . .
C107 C106 H106 120.0 . .
C105 C106 H106 120.0 . .
C108 C107 C106 119.2(8) . .
C108 C107 H107 120.4 . .
C106 C107 H107 120.4 . .
C107 C108 C103 121.9(8) . .
C107 C108 H108 119.1 . .
C103 C108 H108 119.1 . .
C118 C109 C110 114.0(6) . .
C118 C109 P5 111.7(5) . .
C110 C109 P5 110.3(5) . .
C118 C109 H109 106.8 . .
C110 C109 H109 106.8 . .
P5 C109 H109 106.8 . .
C111 C110 C109 113.4(6) . .
C111 C110 H11A 108.9 . .
C109 C110 H11A 108.9 . .
C111 C110 H11B 108.9 . .
C109 C110 H11B 108.9 . .
H11A C110 H11B 107.7 . .
O5 C111 C112 120.1(6) . .
O5 C111 C110 122.6(7) . .
C112 C111 C110 117.2(6) . .
C113 C112 C117 120.3(7) . .
C113 C112 C111 118.7(7) . .
C117 C112 C111 120.9(6) . .
C112 C113 C114 119.5(7) . .
C112 C113 H113 120.2 . .
C114 C113 H113 120.2 . .
C115 C114 C113 120.0(8) . .
C115 C114 H114 120.0 . .
C113 C114 H114 120.0 . .
C114 C115 C116 119.9(8) . .
C114 C115 H115 120.1 . .
C116 C115 H115 120.1 . .
C117 C116 C115 121.1(8) . .
C117 C116 H116 119.5 . .
C115 C116 H116 119.5 . .
C116 C117 C112 119.2(7) . .
C116 C117 H117 120.4 . .
C112 C117 H117 120.4 . .
C123 C118 C119 119.8(7) . .
C123 C118 C109 120.6(6) . .
C119 C118 C109 119.5(6) . .
C118 C119 C120 119.2(7) . .
C118 C119 H119 120.4 . .
C120 C119 H119 120.4 . .
C121 C120 C119 120.3(7) . .
C121 C120 H120 119.9 . .
C119 C120 H120 119.9 . .
C120 C121 C122 121.2(7) . .
C120 C121 H121 119.4 . .
C122 C121 H121 119.4 . .
C123 C122 C121 118.3(7) . .
C123 C122 C124 121.7(6) . .
C121 C122 C124 119.9(7) . .
C122 C123 C118 121.2(6) . .
C122 C123 H123 119.4 . .
C118 C123 H123 119.4 . .
C122 C124 C125 113.5(6) . .
C122 C124 P6 113.5(5) . .
C125 C124 P6 108.1(5) . .
C122 C124 H124 107.1 . .
C125 C124 H124 107.1 . .
P6 C124 H124 107.1 . .
C126 C125 C124 116.0(6) . .
C126 C125 H12A 108.3 . .
C124 C125 H12A 108.3 . .
C126 C125 H12B 108.3 . .
C124 C125 H12B 108.3 . .
H12A C125 H12B 107.4 . .
O6 C126 C125 121.9(7) . .
O6 C126 C127 120.7(7) . .
C125 C126 C127 117.4(6) . .
C132 C127 C128 119.8(7) . .
C132 C127 C126 122.9(7) . .
C128 C127 C126 117.3(6) . .
C129 C128 C127 119.1(7) . .
C129 C128 H128 120.5 . .
C127 C128 H128 120.5 . .
C130 C129 C128 120.9(8) . .
C130 C129 H129 119.6 . .
C128 C129 H129 119.6 . .
C131 C130 C129 119.0(7) . .
C131 C130 H130 120.5 . .
C129 C130 H130 120.5 . .
C130 C131 C132 122.5(7) . .
C130 C131 H131 118.8 . .
C132 C131 H131 118.8 . .
C131 C132 C127 118.7(8) . .
C131 C132 H132 120.6 . .
C127 C132 H132 120.6 . .
C138 C133 C134 119.2(7) . .
C138 C133 P6 119.5(6) . .
C134 C133 P6 121.3(6) . .
C135 C134 C133 121.0(8) . .
C135 C134 H134 119.5 . .
C133 C134 H134 119.5 . .
C134 C135 C136 119.1(8) . .
C134 C135 H135 120.4 . .
C136 C135 H135 120.4 . .
C137 C136 C135 120.4(7) . .
C137 C136 H136 119.8 . .
C135 C136 H136 119.8 . .
C136 C137 C138 120.1(8) . .
C136 C137 H137 119.9 . .
C138 C137 H137 119.9 . .
C133 C138 C137 120.1(7) . .
C133 C138 H138 119.9 . .
C137 C138 H138 119.9 . .
C140 C139 C144 119.5(7) . .
C140 C139 P6 123.7(6) . .
C144 C139 P6 116.6(6) . .
C141 C140 C139 120.4(8) . .
C141 C140 H140 119.8 . .
C139 C140 H140 119.8 . .
C140 C141 C142 119.2(8) . .
C140 C141 H141 120.4 . .
C142 C141 H141 120.4 . .
C141 C142 C143 121.4(7) . .
C141 C142 H142 119.3 . .
C143 C142 H142 119.3 . .
C144 C143 C142 119.6(8) . .
C144 C143 H143 120.2 . .
C142 C143 H143 120.2 . .
C143 C144 C139 120.0(8) . .
C143 C144 H144 120.0 . .
C139 C144 H144 120.0 . .
Cl8 C145 Cl7 112.7(5) . .
Cl8 C145 H14C 109.1 . .
Cl7 C145 H14C 109.1 . .
Cl8 C145 H14D 109.1 . .
Cl7 C145 H14D 109.1 . .
H14C C145 H14D 107.8 . .
Cl9 C146 Cl10 109.4(5) . .
Cl9 C146 H14E 109.8 . .
Cl10 C146 H14E 109.8 . .
Cl9 C146 H14F 109.8 . .
Cl10 C146 H14F 109.8 . .
H14E C146 H14F 108.2 . .
Cl13 C148 Cl14 109.4(5) . .
Cl13 C148 H14G 109.8 . .
Cl14 C148 H14G 109.8 . .
Cl13 C148 H14H 109.8 . .
Cl14 C148 H14H 109.8 . .
H14G C148 H14H 108.2 . .
Cl16 C149 Cl15 111.2(5) . .
Cl16 C149 H14I 109.4 . .
Cl15 C149 H14I 109.4 . .
Cl16 C149 H14J 109.4 . .
Cl15 C149 H14J 109.4 . .
H14I C149 H14J 108.0 . .
Cl19 C150 Cl19 119.0(16) 2_755 .
Cl19 C150 H15A 107.6 2_755 .
Cl19 C150 H15A 107.6 . .
Cl19 C150 H15B 107.6 2_755 .
Cl19 C150 H15B 107.6 . .
H15A C150 H15B 107.0 . .
Cu3 Cl1 Cu1 128.44(8) . .
Cu3 Cl1 Cu2 80.09(6) . .
Cu1 Cl1 Cu2 83.53(6) . .
Cu6 Cl2 Cu2 129.77(8) . .
Cu6 Cl2 Cu1 81.82(6) . .
Cu2 Cl2 Cu1 83.16(6) . .
Cu2 Cl3 Cu4 129.19(7) . .
Cu2 Cl3 Cu3 80.47(6) . .
Cu4 Cl3 Cu3 83.88(6) . .
Cu3 Cl4 Cu5 128.41(8) . .
Cu3 Cl4 Cu4 84.77(6) . .
Cu5 Cl4 Cu4 77.59(6) . .
Cu4 Cl5 Cu6 130.17(8) . .
Cu4 Cl5 Cu5 78.55(6) . .
Cu6 Cl5 Cu5 85.39(6) . .
Cu5 Cl6 Cu1 126.68(7) . .
Cu5 Cl6 Cu6 86.33(6) . .
Cu1 Cl6 Cu6 80.77(6) . .
Cl11 C147 Cl12 112.4(10) . .
Cl11 C147 H14K 109.1 . .
Cl12 C147 H14K 109.1 . .
Cl11 C147 H14L 109.1 . .
Cl12 C147 H14L 109.1 . .
H14K C147 H14L 107.9 . .
Cl1A C47A Cl2A 112.6(12) . .
Cl1A C47A H47A 109.1 . .
Cl2A C47A H47A 109.1 . .
Cl1A C47A H47B 109.1 . .
Cl2A C47A H47B 109.1 . .
H47A C47A H47B 107.8 . .
C7 P1 C1 103.7(3) . .
C7 P1 C13 100.3(3) . .
C1 P1 C13 103.6(3) . .
C7 P1 Cu1 115.9(2) . .
C1 P1 Cu1 113.8(3) . .
C13 P1 Cu1 117.6(2) . .
C43 P2 C37 101.9(3) . .
C43 P2 C28 105.1(3) . .
C37 P2 C28 100.7(3) . .
C43 P2 Cu2 116.2(2) . .
C37 P2 Cu2 115.3(3) . .
C28 P2 Cu2 115.6(2) . .
C49 P3 C55 106.6(3) . .
C49 P3 C61 100.2(3) . .
C55 P3 C61 101.1(3) . .
C49 P3 Cu3 116.5(3) . .
C55 P3 Cu3 113.8(2) . .
C61 P3 Cu3 116.7(2) . .
C85 P4 C91 101.6(3) . .
C85 P4 C76 99.8(4) . .
C91 P4 C76 106.3(3) . .
C85 P4 Cu4 116.1(3) . .
C91 P4 Cu4 116.0(3) . .
C76 P4 Cu4 115.1(3) . .
C97 P5 C103 105.7(3) . .
C97 P5 C109 101.1(3) . .
C103 P5 C109 101.5(3) . .
C97 P5 Cu5 117.1(2) . .
C103 P5 Cu5 113.2(2) . .
C109 P5 Cu5 116.3(2) . .
C139 P6 C133 100.5(3) . .
C139 P6 C124 105.6(3) . .
C133 P6 C124 103.7(3) . .
C139 P6 Cu6 116.3(2) . .
C133 P6 Cu6 115.0(2) . .
C124 P6 Cu6 114.1(2) . .
C151 Cl20 C151 41.2(11) . 2_657
Cl20 C151 Cl21 108.7(10) . .
Cl20 C151 H15C 110.0 . .
Cl21 C151 H15C 110.0 . .
Cl20 C151 H15D 110.0 . .
Cl21 C151 H15D 110.0 . .
H15C C151 H15D 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.204(2) .
Cu1 Cl1 2.4000(18) .
Cu1 Cl6 2.4076(19) .
Cu1 Cl2 2.4420(18) .
Cu2 P2 2.213(2) .
Cu2 Cl3 2.3590(19) .
Cu2 Cl2 2.4314(18) .
Cu2 Cl1 2.4550(18) .
Cu3 P3 2.2049(19) .
Cu3 Cl4 2.3900(19) .
Cu3 Cl1 2.3932(19) .
Cu3 Cl3 2.4694(19) .
Cu4 P4 2.202(2) .
Cu4 Cl5 2.3445(18) .
Cu4 Cl3 2.4269(19) .
Cu4 Cl4 2.4644(19) .
Cu4 Cu5 3.0454(12) .
Cu5 P5 2.205(2) .
Cu5 Cl4 2.3956(18) .
Cu5 Cl6 2.4028(19) .
Cu5 Cl5 2.4642(19) .
Cu6 P6 2.2095(19) .
Cu6 Cl2 2.3531(18) .
Cu6 Cl5 2.4213(19) .
Cu6 Cl6 2.4397(18) .
C1 C6 1.373(11) .
C1 C2 1.382(11) .
C1 P1 1.847(7) .
C2 C3 1.356(11) .
C2 H2 0.9500 .
C3 C4 1.362(12) .
C3 H3 0.9500 .
C4 C5 1.364(13) .
C4 H4 0.9500 .
C5 C6 1.376(11) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.367(10) .
C7 C8 1.385(10) .
C7 P1 1.831(7) .
C8 C9 1.393(10) .
C8 H8 0.9500 .
C9 C10 1.395(11) .
C9 H9 0.9500 .
C10 C11 1.380(11) .
C10 H10 0.9500 .
C11 C12 1.392(10) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C22 1.505(10) .
C13 C14 1.548(9) .
C13 P1 1.856(7) .
C13 H13 1.0000 .
C14 C15 1.526(10) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 O1 1.200(9) .
C15 C16 1.510(10) .
C16 C21 1.388(11) .
C16 C17 1.393(10) .
C17 C18 1.373(11) .
C17 H17 0.9500 .
C18 C19 1.384(12) .
C18 H18 0.9500 .
C19 C20 1.369(11) .
C19 H19 0.9500 .
C20 C21 1.402(10) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.390(10) .
C22 C27 1.398(9) .
C23 C24 1.394(10) .
C23 H23 0.9500 .
C24 C25 1.377(10) .
C24 H24 0.9500 .
C25 C26 1.407(10) .
C25 H25 0.9500 .
C26 C27 1.390(9) .
C26 C28 1.509(10) .
C27 H27 0.9500 .
C28 C29 1.582(10) .
C28 P2 1.855(7) .
C28 H28 1.0000 .
C29 C30 1.486(10) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 O2 1.225(9) .
C30 C31 1.536(11) .
C31 C32 1.377(11) .
C31 C36 1.395(11) .
C32 C33 1.401(11) .
C32 H32 0.9500 .
C33 C34 1.378(14) .
C33 H33 0.9500 .
C34 C35 1.369(12) .
C34 H34 0.9500 .
C35 C36 1.376(11) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.397(10) .
C37 C42 1.407(11) .
C37 P2 1.837(7) .
C38 C39 1.371(10) .
C38 H38 0.9500 .
C39 C40 1.373(11) .
C39 H39 0.9500 .
C40 C41 1.377(11) .
C40 H40 0.9500 .
C41 C42 1.393(10) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 C44 1.385(10) .
C43 C48 1.415(10) .
C43 P2 1.828(7) .
C44 C45 1.373(10) .
C44 H44 0.9500 .
C45 C46 1.372(11) .
C45 H45 0.9500 .
C46 C47 1.351(12) .
C46 H46 0.9500 .
C47 C48 1.391(11) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C50 1.383(10) .
C49 C54 1.384(11) .
C49 P3 1.831(7) .
C50 C51 1.375(11) .
C50 H50 0.9500 .
C51 C52 1.362(12) .
C51 H51 0.9500 .
C52 C53 1.404(11) .
C52 H52 0.9500 .
C53 C54 1.387(10) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C60 1.377(11) .
C55 C56 1.401(10) .
C55 P3 1.837(8) .
C56 C57 1.371(11) .
C56 H56 0.9500 .
C57 C58 1.365(12) .
C57 H57 0.9500 .
C58 C59 1.392(11) .
C58 H58 0.9500 .
C59 C60 1.382(11) .
C59 H59 0.9500 .
C60 H60 0.9500 .
C61 C70 1.489(11) .
C61 C62 1.549(10) .
C61 P3 1.860(8) .
C61 H61 1.0000 .
C62 C63 1.519(10) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 O3 1.222(8) .
C63 C64 1.495(11) .
C64 C69 1.348(12) .
C64 C65 1.408(11) .
C65 C66 1.349(12) .
C65 H65 0.9500 .
C66 C67 1.345(13) .
C66 H66 0.9500 .
C67 C68 1.406(13) .
C67 H67 0.9500 .
C68 C69 1.360(13) .
C68 H68 0.9500 .
C69 H69 0.9500 .
C70 C71 1.400(10) .
C70 C75 1.405(10) .
C71 C72 1.381(11) .
C71 H71 0.9500 .
C72 C73 1.415(11) .
C72 H72 0.9500 .
C73 C74 1.394(10) .
C73 H73 0.9500 .
C74 C75 1.385(10) .
C74 C76 1.521(10) .
C75 H75 0.9500 .
C76 C77 1.568(10) .
C76 P4 1.854(7) .
C76 H76 1.0000 .
C77 C78 1.472(11) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 O4 1.224(11) .
C78 C79 1.504(12) .
C79 C84 1.379(13) .
C79 C80 1.414(12) .
C80 C81 1.397(13) .
C80 H80 0.9500 .
C81 C82 1.397(14) .
C81 H81 0.9500 .
C82 C83 1.352(13) .
C82 H82 0.9500 .
C83 C84 1.433(12) .
C83 H83 0.9500 .
C84 H84 0.9500 .
C85 C90 1.394(11) .
C85 C86 1.411(11) .
C85 P4 1.833(7) .
C86 C87 1.398(12) .
C86 H86 0.9500 .
C87 C88 1.359(12) .
C87 H87 0.9500 .
C88 C89 1.428(12) .
C88 H88 0.9500 .
C89 C90 1.418(11) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 C96 1.410(11) .
C91 C92 1.417(11) .
C91 P4 1.835(8) .
C92 C93 1.341(11) .
C92 H92 0.9500 .
C93 C94 1.387(12) .
C93 H93 0.9500 .
C94 C95 1.353(12) .
C94 H94 0.9500 .
C95 C96 1.368(11) .
C95 H95 0.9500 .
C96 H96 0.9500 .
C97 C98 1.379(10) .
C97 C102 1.390(10) .
C97 P5 1.824(7) .
C98 C99 1.417(11) .
C98 H98 0.9500 .
C99 C100 1.380(12) .
C99 H99 0.9500 .
C100 C101 1.346(11) .
C100 H100 0.9500 .
C101 C102 1.397(11) .
C101 H101 0.9500 .
C102 H102 0.9500 .
C103 C108 1.384(10) .
C103 C104 1.390(10) .
C103 P5 1.850(7) .
C104 C105 1.396(11) .
C104 H104 0.9500 .
C105 C106 1.402(12) .
C105 H105 0.9500 .
C106 C107 1.380(12) .
C106 H106 0.9500 .
C107 C108 1.375(11) .
C107 H107 0.9500 .
C108 H108 0.9500 .
C109 C118 1.524(10) .
C109 C110 1.535(10) .
C109 P5 1.868(7) .
C109 H109 1.0000 .
C110 C111 1.501(9) .
C110 H11A 0.9900 .
C110 H11B 0.9900 .
C111 O5 1.215(9) .
C111 C112 1.498(10) .
C112 C113 1.381(10) .
C112 C117 1.389(11) .
C113 C114 1.403(11) .
C113 H113 0.9500 .
C114 C115 1.363(12) .
C114 H114 0.9500 .
C115 C116 1.386(12) .
C115 H115 0.9500 .
C116 C117 1.372(11) .
C116 H116 0.9500 .
C117 H117 0.9500 .
C118 C123 1.398(10) .
C118 C119 1.402(10) .
C119 C120 1.404(11) .
C119 H119 0.9500 .
C120 C121 1.379(12) .
C120 H120 0.9500 .
C121 C122 1.406(10) .
C121 H121 0.9500 .
C122 C123 1.393(9) .
C122 C124 1.512(10) .
C123 H123 0.9500 .
C124 C125 1.545(10) .
C124 P6 1.852(8) .
C124 H124 1.0000 .
C125 C126 1.507(10) .
C125 H12A 0.9900 .
C125 H12B 0.9900 .
C126 O6 1.211(9) .
C126 C127 1.517(10) .
C127 C132 1.382(10) .
C127 C128 1.402(10) .
C128 C129 1.390(11) .
C128 H128 0.9500 .
C129 C130 1.370(11) .
C129 H129 0.9500 .
C130 C131 1.359(12) .
C130 H130 0.9500 .
C131 C132 1.381(11) .
C131 H131 0.9500 .
C132 H132 0.9500 .
C133 C138 1.392(10) .
C133 C134 1.393(10) .
C133 P6 1.829(7) .
C134 C135 1.387(11) .
C134 H134 0.9500 .
C135 C136 1.413(12) .
C135 H135 0.9500 .
C136 C137 1.367(11) .
C136 H136 0.9500 .
C137 C138 1.409(11) .
C137 H137 0.9500 .
C138 H138 0.9500 .
C139 C140 1.399(10) .
C139 C144 1.426(10) .
C139 P6 1.822(7) .
C140 C141 1.380(11) .
C140 H140 0.9500 .
C141 C142 1.390(13) .
C141 H141 0.9500 .
C142 C143 1.408(13) .
C142 H142 0.9500 .
C143 C144 1.357(11) .
C143 H143 0.9500 .
C144 H144 0.9500 .
C145 Cl8 1.729(10) .
C145 Cl7 1.762(10) .
C145 H14C 0.9900 .
C145 H14D 0.9900 .
C146 Cl9 1.742(10) .
C146 Cl10 1.779(11) .
C146 H14E 0.9900 .
C146 H14F 0.9900 .
C148 Cl13 1.758(9) .
C148 Cl14 1.780(9) .
C148 H14G 0.9900 .
C148 H14H 0.9900 .
C149 Cl16 1.760(10) .
C149 Cl15 1.798(9) .
C149 H14I 0.9900 .
C149 H14J 0.9900 .
C150 Cl19 1.686(14) 2_755
C150 Cl19 1.686(14) .
C150 H15A 0.9900 .
C150 H15B 0.9900 .
C147 Cl11 1.726(12) .
C147 Cl12 1.769(14) .
C147 H14K 0.9900 .
C147 H14L 0.9900 .
C47A Cl1A 1.719(15) .
C47A Cl2A 1.744(14) .
C47A H47A 0.9900 .
C47A H47B 0.9900 .
Cl20 C151 1.762(15) .
Cl20 C151 1.763(15) 2_657
Cl21 C151 1.777(14) .
C151 H15C 0.9900 .
C151 H15D 0.9900 .
