#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:03:01 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/75/7047541.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_7047541
loop_
_publ_author_name
'Yue, Kai'
'Guo, Yi-He'
'Pan, Jia-Qing'
'He, Kai'
'Qiao, Yuan-Yuan'
'Li, Qing-Shan'
'Xu, Feng-Bo'
_publ_section_title
;
 Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13689
_journal_page_last               13695
_journal_paper_doi               10.1039/c8dt02498g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C74 H72 Cl6 Cu2 O8 P4'
_chemical_formula_sum            'C74 H72 Cl6 Cu2 O8 P4'
_chemical_formula_weight         1552.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-08-24 deposited with the CCDC.
2018-08-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.95(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.204(3)
_cell_length_b                   20.254(4)
_cell_length_c                   27.031(5)
_cell_measurement_reflns_used    20340
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      33.6400
_cell_measurement_theta_min      1.8161
_cell_volume                     7202(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            78478
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.869
_diffrn_reflns_theta_min         1.816
_exptl_absorpt_coefficient_mu    0.957
_exptl_absorpt_correction_T_max  0.8777
_exptl_absorpt_correction_T_min  0.8467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3200
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.901
_refine_diff_density_min         -2.320
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         17101
_refine_ls_number_restraints     319
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0804P)²+21.7752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1497
_refine_ls_wR_factor_ref         0.1598
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14386
_reflns_number_total             17101
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02498g2.cif
_cod_data_source_block           shelxl_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7047539--7047544.cif.'
_cod_database_code               7047541
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.847
_shelx_estimated_absorpt_t_max   0.878
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.51726(3) 0.33866(2) 1.00538(2) 0.01933(9) Uani 1 1 d . . . . .
Cu2 Cu 0.19731(3) 0.31962(2) 0.95650(2) 0.01852(9) Uani 1 1 d . . . . .
P1 P 0.54350(6) 0.30898(4) 1.08784(3) 0.01943(16) Uani 1 1 d . . . . .
P2 P 0.13935(5) 0.28929(4) 1.02757(3) 0.01634(15) Uani 1 1 d . . . . .
P3 P 0.17124(6) 0.29136(4) 0.87524(3) 0.01828(15) Uani 1 1 d . . . . .
P4 P 0.57772(6) 0.31647(4) 0.93162(3) 0.02016(16) Uani 1 1 d . . . . .
O1 O 0.36904(16) 0.27258(11) 1.02645(8) 0.0210(4) Uani 1 1 d . . . . .
O2 O 0.35406(17) 0.26731(12) 0.93541(8) 0.0246(5) Uani 1 1 d . . . . .
C1 C 0.3377(2) 0.28889(15) 1.07225(11) 0.0186(6) Uani 1 1 d . . . . .
C2 C 0.2356(2) 0.29636(14) 1.08053(11) 0.0182(5) Uani 1 1 d . . . . .
C3 C 0.2123(2) 0.31507(15) 1.12814(11) 0.0198(6) Uani 1 1 d . . . . .
H3 H 0.142888 0.319674 1.134324 0.024 Uiso 1 1 calc R U . . .
C4 C 0.2866(2) 0.32715(16) 1.16668(11) 0.0211(6) Uani 1 1 d . . . . .
C5 C 0.3886(2) 0.32374(16) 1.15573(11) 0.0222(6) Uani 1 1 d . . . . .
H5 H 0.440676 0.334029 1.181003 0.027 Uiso 1 1 calc R U . . .
C6 C 0.4155(2) 0.30568(16) 1.10878(11) 0.0207(6) Uani 1 1 d . . . . .
C7 C 0.2617(3) 0.34433(18) 1.21964(12) 0.0281(7) Uani 1 1 d . . . . .
C8 C 0.1472(3) 0.3547(2) 1.22277(14) 0.0393(9) Uani 1 1 d . . . . .
H8A H 0.134646 0.366990 1.256769 0.059 Uiso 1 1 calc R U . . .
H8B H 0.110858 0.313694 1.213621 0.059 Uiso 1 1 calc R U . . .
H8C H 0.123046 0.389986 1.199921 0.059 Uiso 1 1 calc R U . . .
C9 C 0.3182(3) 0.4071(2) 1.23786(14) 0.0424(9) Uani 1 1 d . . . . .
H9A H 0.391556 0.400362 1.237123 0.064 Uiso 1 1 calc R U . . .
H9B H 0.302734 0.416780 1.271919 0.064 Uiso 1 1 calc R U . . .
H9C H 0.296421 0.444123 1.216192 0.064 Uiso 1 1 calc R U . . .
C10 C 0.2967(3) 0.2864(2) 1.25406(13) 0.0376(9) Uani 1 1 d . . . . .
H10A H 0.370336 0.280727 1.253951 0.056 Uiso 1 1 calc R U . . .
H10B H 0.262170 0.245871 1.242187 0.056 Uiso 1 1 calc R U . . .
H10C H 0.279672 0.295943 1.287924 0.056 Uiso 1 1 calc R U . . .
C11 C 0.6099(2) 0.36291(17) 1.13398(12) 0.0245(6) Uani 1 1 d . . . . .
C12 C 0.5800(4) 0.4285(2) 1.13477(18) 0.0503(12) Uani 1 1 d . . . . .
H12 H 0.524743 0.443108 1.112659 0.060 Uiso 1 1 calc R U . . .
C13 C 0.6298(4) 0.4730(2) 1.1675(2) 0.0564(13) Uani 1 1 d . . . . .
H13 H 0.608712 0.517883 1.167445 0.068 Uiso 1 1 calc R U . . .
C14 C 0.7092(3) 0.4527(2) 1.19979(15) 0.0397(9) Uani 1 1 d . . . . .
H14 H 0.744201 0.483463 1.221622 0.048 Uiso 1 1 calc R U . . .
C15 C 0.7374(3) 0.3884(3) 1.20039(18) 0.0527(12) Uani 1 1 d . . . . .
H15 H 0.790971 0.373942 1.223579 0.063 Uiso 1 1 calc R U . . .
C16 C 0.6887(3) 0.3428(2) 1.16730(16) 0.0425(10) Uani 1 1 d . . . . .
H16 H 0.710079 0.298030 1.167863 0.051 Uiso 1 1 calc R U . . .
C17 C 0.5945(2) 0.22705(16) 1.10250(12) 0.0232(6) Uani 1 1 d . . . . .
C18 C 0.5649(3) 0.1891(2) 1.14138(17) 0.0443(10) Uani 1 1 d . . . . .
H18 H 0.516145 0.205949 1.161965 0.053 Uiso 1 1 calc R U . . .
C19 C 0.6060(3) 0.1267(2) 1.15055(17) 0.0446(10) Uani 1 1 d . . . . .
H19 H 0.583490 0.100890 1.176844 0.053 Uiso 1 1 calc R U . . .
C20 C 0.6772(4) 0.1021(2) 1.12270(17) 0.0453(10) Uani 1 1 d . . . . .
H20 H 0.707147 0.060230 1.130113 0.054 Uiso 1 1 calc R U . . .
C21 C 0.7058(5) 0.1390(3) 1.0832(2) 0.0746(17) Uani 1 1 d . U . . .
H21 H 0.753201 0.121358 1.062219 0.089 Uiso 1 1 calc R U . . .
C22 C 0.6656(5) 0.2018(2) 1.0740(2) 0.0650(17) Uani 1 1 d . . . . .
H22 H 0.687984 0.227412 1.047545 0.078 Uiso 1 1 calc R U . . .
C23 C 0.0409(2) 0.34549(17) 1.04548(12) 0.0257(7) Uani 1 1 d . . . . .
C24 C 0.0651(4) 0.41241(19) 1.04523(16) 0.0418(9) Uani 1 1 d . . . . .
H24 H 0.129673 0.425971 1.035939 0.050 Uiso 1 1 calc R U . . .
C25 C -0.0038(4) 0.4593(2) 1.0583(2) 0.0606(14) Uani 1 1 d . . . . .
H25 H 0.014168 0.504777 1.058968 0.073 Uiso 1 1 calc R U . . .
C26 C -0.0976(4) 0.4402(3) 1.0704(3) 0.084(2) Uani 1 1 d . . . . .
H26 H -0.145015 0.472478 1.079240 0.100 Uiso 1 1 calc R U . . .
C27 C -0.1241(3) 0.3744(3) 1.0698(3) 0.084(2) Uani 1 1 d . . . . .
H27 H -0.190112 0.361697 1.077587 0.101 Uiso 1 1 calc R U . . .
C28 C -0.0541(3) 0.3261(2) 1.0577(2) 0.0497(12) Uani 1 1 d . . . . .
H28 H -0.071852 0.280685 1.057850 0.060 Uiso 1 1 calc R U . . .
C29 C 0.0879(2) 0.20632(15) 1.03316(11) 0.0189(6) Uani 1 1 d . . . . .
C30 C 0.0547(3) 0.18174(18) 1.07710(13) 0.0335(8) Uani 1 1 d . . . . .
H30 H 0.060191 0.208259 1.106198 0.040 Uiso 1 1 calc R U . . .
C31 C 0.0141(4) 0.1192(2) 1.07862(15) 0.0495(12) Uani 1 1 d . . . . .
H31 H -0.009358 0.103047 1.108573 0.059 Uiso 1 1 calc R U . . .
C32 C 0.0074(4) 0.07996(19) 1.03649(16) 0.0489(11) Uani 1 1 d . . . . .
H32 H -0.021996 0.037198 1.037390 0.059 Uiso 1 1 calc R U . . .
C33 C 0.0431(3) 0.10282(17) 0.99343(14) 0.0336(8) Uani 1 1 d . . . . .
H33 H 0.041055 0.075113 0.965004 0.040 Uiso 1 1 calc R U . . .
C34 C 0.0820(2) 0.16590(15) 0.99132(12) 0.0221(6) Uani 1 1 d . . . . .
H34 H 0.104898 0.181846 0.961163 0.026 Uiso 1 1 calc R U . . .
C35 C 0.3583(2) 0.20585(14) 1.00881(11) 0.0183(5) Uani 1 1 d . . . . .
H35A H 0.286385 0.191633 1.006983 0.022 Uiso 1 1 calc R U . . .
H35B H 0.399662 0.175231 1.030812 0.022 Uiso 1 1 calc R U . . .
C36 C 0.3965(2) 0.20795(15) 0.95775(11) 0.0215(6) Uani 1 1 d . . . . .
H36A H 0.471671 0.209405 0.960088 0.026 Uiso 1 1 calc R U . . .
H36B H 0.373092 0.168710 0.938123 0.026 Uiso 1 1 calc R U . . .
C37 C 0.3800(2) 0.28699(15) 0.88937(11) 0.0202(6) Uani 1 1 d . . . . .
C38 C 0.4785(2) 0.30503(16) 0.88021(11) 0.0222(6) Uani 1 1 d . . . . .
C39 C 0.4960(2) 0.32254(16) 0.83137(12) 0.0221(6) Uani 1 1 d . . . . .
H39 H 0.563396 0.332571 0.824141 0.027 Uiso 1 1 calc R U . . .
C40 C 0.4184(2) 0.32579(16) 0.79315(11) 0.0223(6) Uani 1 1 d . . . . .
C41 C 0.3185(2) 0.31513(16) 0.80563(11) 0.0217(6) Uani 1 1 d . . . . .
H41 H 0.263400 0.321399 0.781071 0.026 Uiso 1 1 calc R U . . .
C42 C 0.2986(2) 0.29556(15) 0.85332(11) 0.0207(6) Uani 1 1 d . . . . .
C43 C 0.4378(3) 0.34230(17) 0.73937(11) 0.0255(7) Uani 1 1 d . . . . .
C44 C 0.5516(3) 0.3483(2) 0.73292(14) 0.0416(10) Uani 1 1 d . . . . .
H44A H 0.561343 0.355381 0.697776 0.062 Uiso 1 1 calc R U . . .
H44B H 0.586312 0.307604 0.744390 0.062 Uiso 1 1 calc R U . . .
H44C H 0.580041 0.385723 0.752466 0.062 Uiso 1 1 calc R U . . .
C45 C 0.3857(3) 0.4072(2) 0.72396(14) 0.0383(9) Uani 1 1 d . . . . .
H45A H 0.414689 0.442973 0.745146 0.057 Uiso 1 1 calc R U . . .
H45B H 0.312726 0.403679 0.727587 0.057 Uiso 1 1 calc R U . . .
H45C H 0.396328 0.416775 0.689236 0.057 Uiso 1 1 calc R U . . .
C46 C 0.3935(3) 0.2861(2) 0.70564(13) 0.0373(9) Uani 1 1 d . . . . .
H46A H 0.319896 0.283558 0.707663 0.056 Uiso 1 1 calc R U . . .
H46B H 0.424931 0.244143 0.716557 0.056 Uiso 1 1 calc R U . . .
H46C H 0.407651 0.294913 0.671251 0.056 Uiso 1 1 calc R U . . .
C47 C 0.0974(2) 0.34781(16) 0.83380(11) 0.0225(6) Uani 1 1 d . . . . .
C48 C 0.1071(3) 0.41495(17) 0.84389(13) 0.0293(7) Uani 1 1 d . . . . .
H48 H 0.150783 0.429322 0.871563 0.035 Uiso 1 1 calc R U . . .
C49 C 0.0538(3) 0.46118(19) 0.81413(15) 0.0359(8) Uani 1 1 d . . . . .
H49 H 0.062760 0.506926 0.820947 0.043 Uiso 1 1 calc R U . . .
C50 C -0.0123(3) 0.4409(2) 0.77453(14) 0.0366(8) Uani 1 1 d . . . . .
H50 H -0.048878 0.472620 0.754158 0.044 Uiso 1 1 calc R U . . .
C51 C -0.0246(4) 0.3742(2) 0.76481(15) 0.0456(10) Uani 1 1 d . . . . .
H51 H -0.071709 0.360010 0.738378 0.055 Uiso 1 1 calc R U . . .
C52 C 0.0317(3) 0.32732(19) 0.79363(13) 0.0348(8) Uani 1 1 d . . . . .
H52 H 0.025088 0.281706 0.785829 0.042 Uiso 1 1 calc R U . . .
C53 C 0.1238(2) 0.20926(16) 0.85830(11) 0.0207(6) Uani 1 1 d . . . . .
C54 C 0.0227(2) 0.19378(17) 0.86522(12) 0.0246(6) Uani 1 1 d . . . . .
H54 H -0.020265 0.226475 0.877478 0.029 Uiso 1 1 calc R U . . .
C55 C -0.0153(3) 0.13118(18) 0.85435(12) 0.0282(7) Uani 1 1 d . . . . .
H55 H -0.084413 0.121364 0.858426 0.034 Uiso 1 1 calc R U . . .
C56 C 0.0475(3) 0.08313(19) 0.83760(15) 0.0366(8) Uani 1 1 d . . . . .
H56 H 0.021624 0.040053 0.830589 0.044 Uiso 1 1 calc R U . . .
C57 C 0.1477(3) 0.0973(2) 0.83096(17) 0.0413(9) Uani 1 1 d . . . . .
H57 H 0.190452 0.064084 0.819274 0.050 Uiso 1 1 calc R U . . .
C58 C 0.1864(3) 0.16017(18) 0.84134(14) 0.0314(7) Uani 1 1 d . . . . .
H58 H 0.255427 0.169675 0.836867 0.038 Uiso 1 1 calc R U . . .
C59 C 0.6589(2) 0.24401(16) 0.92975(12) 0.0228(6) Uani 1 1 d . . . . .
C60 C 0.6339(3) 0.18945(17) 0.89996(13) 0.0280(7) Uani 1 1 d . . . . .
H60 H 0.574753 0.190333 0.877303 0.034 Uiso 1 1 calc R U . . .
C61 C 0.6956(3) 0.13333(18) 0.90332(15) 0.0336(8) Uani 1 1 d . . . . .
H61 H 0.677496 0.095872 0.883318 0.040 Uiso 1 1 calc R U . . .
C62 C 0.7829(3) 0.13190(19) 0.93558(14) 0.0331(8) Uani 1 1 d . . . . .
H62 H 0.823834 0.093287 0.938235 0.040 Uiso 1 1 calc R U . . .
C63 C 0.8105(3) 0.1877(2) 0.96431(15) 0.0355(8) Uani 1 1 d . . . . .
H63 H 0.871697 0.187582 0.985577 0.043 Uiso 1 1 calc R U . . .
C64 C 0.7486(3) 0.24293(19) 0.96163(13) 0.0303(7) Uani 1 1 d . . . . .
H64 H 0.766981 0.280428 0.981529 0.036 Uiso 1 1 calc R U . . .
C65 C 0.6558(2) 0.38143(17) 0.90758(12) 0.0260(6) Uani 1 1 d . . . . .
C66 C 0.6256(3) 0.4466(2) 0.91183(19) 0.0487(11) Uani 1 1 d . . . . .
H66 H 0.564149 0.456324 0.926203 0.058 Uiso 1 1 calc R U . . .
C67 C 0.6841(4) 0.4980(2) 0.8953(2) 0.0632(15) Uani 1 1 d . . . . .
H67 H 0.662871 0.542421 0.898692 0.076 Uiso 1 1 calc R U . . .
C68 C 0.7728(3) 0.4843(2) 0.87416(18) 0.0465(10) Uani 1 1 d . . . . .
H68 H 0.812552 0.519303 0.862788 0.056 Uiso 1 1 calc R U . . .
C69 C 0.8037(3) 0.4205(2) 0.86944(18) 0.0466(10) Uani 1 1 d . . . . .
H69 H 0.865145 0.411173 0.854911 0.056 Uiso 1 1 calc R U . . .
C70 C 0.7451(3) 0.36902(19) 0.88596(16) 0.0374(9) Uani 1 1 d . . . . .
H70 H 0.766833 0.324707 0.882315 0.045 Uiso 1 1 calc R U . . .
C71 C 0.3419(2) 0.43836(13) 0.97661(11) 0.0165(5) Uani 1 1 d . . . . .
C72 C 0.3418(4) 0.51093(19) 0.9711(2) 0.0588(15) Uani 1 1 d . . . . .
H72A H 0.322960 0.522528 0.936308 0.088 Uiso 1 1 calc R U . . .
H72B H 0.409792 0.528172 0.981216 0.088 Uiso 1 1 calc R U . . .
H72C H 0.292588 0.530241 0.992065 0.088 Uiso 1 1 calc R U . . .
O3 O 0.4158(2) 0.41306(13) 1.00378(10) 0.0358(6) Uani 1 1 d . . . . .
O4 O 0.2625(2) 0.40944(13) 0.95851(10) 0.0378(6) Uani 1 1 d . . . . .
Cl1 Cl 0.44527(18) 0.07193(13) 0.82435(8) 0.0265(4) Uani 0.831(6) 1 d D U P A 1
O5 O 0.5452(2) 0.04454(18) 0.82225(14) 0.0384(9) Uani 0.831(6) 1 d D U P A 1
O6 O 0.3709(3) 0.0288(2) 0.79959(17) 0.0383(11) Uani 0.831(6) 1 d D U P A 1
O7 O 0.4243(3) 0.0793(2) 0.87522(12) 0.0530(11) Uani 0.831(6) 1 d D U P A 1
O8 O 0.4407(3) 0.13541(17) 0.80096(16) 0.0517(11) Uani 0.831(6) 1 d D U P A 1
Cl1' Cl 0.4356(9) 0.0631(6) 0.8224(4) 0.032(3) Uani 0.169(6) 1 d D U P A 2
O5' O 0.5158(12) 0.0215(8) 0.8449(6) 0.039(4) Uani 0.169(6) 1 d D U P A 2
O6' O 0.3467(13) 0.0233(9) 0.8087(7) 0.031(4) Uani 0.169(6) 1 d D U P A 2
O7' O 0.4109(12) 0.1133(7) 0.8574(6) 0.040(4) Uani 0.169(6) 1 d D U P A 2
O8' O 0.4688(12) 0.0943(8) 0.7785(5) 0.045(4) Uani 0.169(6) 1 d D U P A 2
C73 C 0.6871(9) 0.9257(4) 0.8581(4) 0.042(2) Uani 0.468(16) 1 d D U P B 3
H73A H 0.619077 0.937665 0.845968 0.051 Uiso 0.468(16) 1 d R U P B 3
Cl2 Cl 0.7044(10) 0.9452(5) 0.9213(3) 0.0540(13) Uani 0.468(16) 1 d D U P B 3
Cl3 Cl 0.7715(7) 0.9707(3) 0.8248(3) 0.0570(18) Uani 0.468(16) 1 d D U P B 3
Cl4 Cl 0.7018(7) 0.8406(3) 0.8488(2) 0.0381(11) Uani 0.468(16) 1 d D U P B 3
C73' C 0.7066(7) 0.9406(4) 0.8669(4) 0.045(2) Uani 0.532(16) 1 d D U P B 4
H73B H 0.645912 0.958432 0.849893 0.053 Uiso 0.532(16) 1 d R U P B 4
Cl2' Cl 0.7000(10) 0.9510(4) 0.9310(3) 0.0674(16) Uani 0.532(16) 1 d D U P B 4
Cl3' Cl 0.8119(6) 0.9825(2) 0.8472(4) 0.0607(18) Uani 0.532(16) 1 d D U P B 4
Cl4' Cl 0.7138(6) 0.8560(4) 0.8528(3) 0.0475(11) Uani 0.532(16) 1 d D U P B 4
Cl5 Cl 0.46526(16) 0.93382(7) 0.00494(6) 0.0863(5) Uani 1 1 d D U . . .
Cl6 Cl 0.69622(16) 0.96796(10) 0.03929(8) 0.0988(6) Uani 1 1 d D U . . .
C74 C 0.5625(4) 0.9963(4) 0.0328(3) 0.101(2) Uani 1 1 d D U . . .
H74A H 0.543855 1.008396 0.065169 0.121 Uiso 1 1 d R U . . .
H74B H 0.558445 1.035406 0.012649 0.121 Uiso 1 1 d R U . . .
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
O3 Cu1 P4 114.55(9) . .
O3 Cu1 P1 105.07(9) . .
P4 Cu1 P1 140.12(3) . .
O4 Cu2 P2 113.98(9) . .
O4 Cu2 P3 106.46(8) . .
P2 Cu2 P3 137.33(3) . .
O4 Cu2 O2 91.69(10) . .
P2 Cu2 O2 116.51(6) . .
P3 Cu2 O2 74.01(6) . .
C17 P1 C11 104.46(15) . .
C17 P1 C6 103.52(14) . .
C11 P1 C6 102.28(14) . .
C17 P1 Cu1 118.01(11) . .
C11 P1 Cu1 121.87(12) . .
C6 P1 Cu1 104.05(11) . .
C29 P2 C23 105.90(15) . .
C29 P2 C2 104.17(14) . .
C23 P2 C2 101.87(14) . .
C29 P2 Cu2 119.10(10) . .
C23 P2 Cu2 111.38(12) . .
C2 P2 Cu2 112.76(10) . .
C53 P3 C47 105.33(15) . .
C53 P3 C42 105.43(14) . .
C47 P3 C42 103.24(14) . .
C53 P3 Cu2 119.61(10) . .
C47 P3 Cu2 117.73(11) . .
C42 P3 Cu2 103.57(10) . .
C59 P4 C65 102.66(15) . .
C59 P4 C38 105.07(15) . .
C65 P4 C38 102.06(15) . .
C59 P4 Cu1 116.05(11) . .
C65 P4 Cu1 115.14(11) . .
C38 P4 Cu1 114.17(10) . .
C1 O1 C35 119.7(2) . .
C37 O2 C36 120.2(2) . .
C37 O2 Cu2 111.57(18) . .
C36 O2 Cu2 125.01(17) . .
O1 C1 C2 122.6(3) . .
O1 C1 C6 115.6(3) . .
C2 C1 C6 121.3(3) . .
C1 C2 C3 118.0(3) . .
C1 C2 P2 118.7(2) . .
C3 C2 P2 123.0(2) . .
C4 C3 C2 122.6(3) . .
C4 C3 H3 118.7 . .
C2 C3 H3 118.7 . .
C3 C4 C5 117.5(3) . .
C3 C4 C7 123.0(3) . .
C5 C4 C7 119.6(3) . .
C6 C5 C4 121.9(3) . .
C6 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
C5 C6 C1 118.4(3) . .
C5 C6 P1 125.9(2) . .
C1 C6 P1 115.5(2) . .
C9 C7 C8 108.9(3) . .
C9 C7 C4 110.5(3) . .
C8 C7 C4 111.9(3) . .
C9 C7 C10 108.9(3) . .
C8 C7 C10 108.4(3) . .
C4 C7 C10 108.2(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C16 C11 C12 118.2(3) . .
C16 C11 P1 124.2(3) . .
C12 C11 P1 117.6(3) . .
C11 C12 C13 120.8(4) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 120.4(4) . .
C14 C13 H13 119.8 . .
C12 C13 H13 119.8 . .
C15 C14 C13 119.4(4) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 121.0(4) . .
C14 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C11 C16 C15 120.1(4) . .
C11 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C22 C17 C18 118.3(3) . .
C22 C17 P1 118.5(3) . .
C18 C17 P1 123.1(3) . .
C17 C18 C19 120.6(4) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C20 C19 C18 121.1(4) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 118.8(4) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
C20 C21 C22 120.5(4) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C17 C22 C21 120.7(4) . .
C17 C22 H22 119.6 . .
C21 C22 H22 119.6 . .
C28 C23 C24 119.4(3) . .
C28 C23 P2 124.7(3) . .
C24 C23 P2 115.9(3) . .
C25 C24 C23 120.8(5) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C26 C25 C24 119.8(5) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 120.5(4) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C26 C27 C28 120.3(5) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C23 C28 C27 119.2(5) . .
C23 C28 H28 120.4 . .
C27 C28 H28 120.4 . .
C30 C29 C34 118.9(3) . .
C30 C29 P2 123.1(2) . .
C34 C29 P2 118.0(2) . .
C31 C30 C29 120.4(3) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 120.1(4) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C33 C32 C31 120.0(4) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.2(3) . .
C32 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
C33 C34 C29 120.4(3) . .
C33 C34 H34 119.8 . .
C29 C34 H34 119.8 . .
O1 C35 C36 104.2(2) . .
O1 C35 H35A 110.9 . .
C36 C35 H35A 110.9 . .
O1 C35 H35B 110.9 . .
C36 C35 H35B 110.9 . .
H35A C35 H35B 108.9 . .
O2 C36 C35 105.0(2) . .
O2 C36 H36A 110.7 . .
C35 C36 H36A 110.7 . .
O2 C36 H36B 110.7 . .
C35 C36 H36B 110.7 . .
H36A C36 H36B 108.8 . .
O2 C37 C38 123.0(3) . .
O2 C37 C42 115.5(3) . .
C38 C37 C42 121.1(3) . .
C37 C38 C39 117.7(3) . .
C37 C38 P4 120.9(2) . .
C39 C38 P4 120.9(2) . .
C40 C39 C38 122.7(3) . .
C40 C39 H39 118.7 . .
C38 C39 H39 118.7 . .
C39 C40 C41 117.4(3) . .
C39 C40 C43 122.8(3) . .
C41 C40 C43 119.8(3) . .
C42 C41 C40 121.4(3) . .
C42 C41 H41 119.3 . .
C40 C41 H41 119.3 . .
C41 C42 C37 119.0(3) . .
C41 C42 P3 124.3(2) . .
C37 C42 P3 116.1(2) . .
C45 C43 C44 108.9(3) . .
C45 C43 C40 109.8(3) . .
C44 C43 C40 111.7(3) . .
C45 C43 C46 109.6(3) . .
C44 C43 C46 108.5(3) . .
C40 C43 C46 108.3(3) . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C43 C45 H45A 109.5 . .
C43 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C43 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C43 C46 H46A 109.5 . .
C43 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C43 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 C52 119.0(3) . .
C48 C47 P3 117.2(2) . .
C52 C47 P3 123.8(3) . .
C49 C48 C47 120.9(3) . .
C49 C48 H48 119.6 . .
C47 C48 H48 119.6 . .
C50 C49 C48 120.2(4) . .
C50 C49 H49 119.9 . .
C48 C49 H49 119.9 . .
C49 C50 C51 119.5(4) . .
C49 C50 H50 120.3 . .
C51 C50 H50 120.3 . .
C50 C51 C52 120.5(4) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
C47 C52 C51 119.8(4) . .
C47 C52 H52 120.1 . .
C51 C52 H52 120.1 . .
C58 C53 C54 118.9(3) . .
C58 C53 P3 122.2(2) . .
C54 C53 P3 118.8(2) . .
C55 C54 C53 120.6(3) . .
C55 C54 H54 119.7 . .
C53 C54 H54 119.7 . .
C56 C55 C54 119.9(3) . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 120.3(3) . .
C55 C56 H56 119.8 . .
C57 C56 H56 119.8 . .
C56 C57 C58 120.2(4) . .
C56 C57 H57 119.9 . .
C58 C57 H57 119.9 . .
C57 C58 C53 120.1(3) . .
C57 C58 H58 119.9 . .
C53 C58 H58 119.9 . .
C60 C59 C64 119.3(3) . .
C60 C59 P4 123.1(3) . .
C64 C59 P4 117.6(2) . .
C59 C60 C61 120.1(3) . .
C59 C60 H60 120.0 . .
C61 C60 H60 120.0 . .
C62 C61 C60 120.5(3) . .
C62 C61 H61 119.8 . .
C60 C61 H61 119.8 . .
C61 C62 C63 119.7(3) . .
C61 C62 H62 120.2 . .
C63 C62 H62 120.2 . .
C64 C63 C62 119.9(3) . .
C64 C63 H63 120.1 . .
C62 C63 H63 120.1 . .
C63 C64 C59 120.5(3) . .
C63 C64 H64 119.7 . .
C59 C64 H64 119.7 . .
C70 C65 C66 118.0(3) . .
C70 C65 P4 123.2(3) . .
C66 C65 P4 118.8(3) . .
C65 C66 C67 120.9(4) . .
C65 C66 H66 119.6 . .
C67 C66 H66 119.6 . .
C68 C67 C66 119.9(4) . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C69 C68 C67 120.2(4) . .
C69 C68 H68 119.9 . .
C67 C68 H68 119.9 . .
C68 C69 C70 119.9(4) . .
C68 C69 H69 120.0 . .
C70 C69 H69 120.0 . .
C65 C70 C69 121.1(4) . .
C65 C70 H70 119.5 . .
C69 C70 H70 119.5 . .
O4 C71 O3 127.2(3) . .
O4 C71 C72 115.4(3) . .
O3 C71 C72 116.8(3) . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C71 O3 Cu1 141.8(2) . .
C71 O4 Cu2 140.3(2) . .
O8 Cl1 O7 109.0(3) . .
O8 Cl1 O6 109.8(3) . .
O7 Cl1 O6 109.3(3) . .
O8 Cl1 O5 109.5(3) . .
O7 Cl1 O5 109.4(3) . .
O6 Cl1 O5 109.9(2) . .
O7' Cl1' O8' 109.4(6) . .
O7' Cl1' O5' 109.5(6) . .
O8' Cl1' O5' 109.7(6) . .
O7' Cl1' O6' 109.6(6) . .
O8' Cl1' O6' 109.3(6) . .
O5' Cl1' O6' 109.3(6) . .
Cl3 C73 Cl2 110.4(5) . .
Cl3 C73 Cl4 110.9(5) . .
Cl2 C73 Cl4 110.7(5) . .
Cl3 C73 H73A 108.2 . .
Cl2 C73 H73A 108.4 . .
Cl4 C73 H73A 108.2 . .
Cl3' C73' Cl2' 110.6(5) . .
Cl3' C73' Cl4' 110.2(4) . .
Cl2' C73' Cl4' 109.9(4) . .
Cl3' C73' H73B 108.8 . .
Cl2' C73' H73B 108.5 . .
Cl4' C73' H73B 108.8 . .
C74 Cl5 C74 78.3(3) 3_675 .
C74 Cl5 H74B 10.2(3) 3_675 3_675
C74 Cl5 H74B 86.3(5) . 3_675
Cl5 C74 Cl6 116.9(4) 3_675 .
Cl5 C74 Cl5 101.7(3) 3_675 .
Cl6 C74 Cl5 115.7(4) . .
Cl5 C74 H74A 105.4 3_675 .
Cl6 C74 H74A 108.1 . .
Cl5 C74 H74A 108.1 . .
Cl5 C74 H74B 8.8 3_675 .
Cl6 C74 H74B 108.4 . .
Cl5 C74 H74B 108.6 . .
H74A C74 H74B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 2.015(2) .
Cu1 P4 2.2560(10) .
Cu1 P1 2.3057(10) .
Cu2 O4 2.011(3) .
Cu2 P2 2.2153(9) .
Cu2 P3 2.2673(9) .
Cu2 O2 2.436(2) .
P1 C17 1.822(3) .
P1 C11 1.825(3) .
P1 C6 1.830(3) .
P2 C29 1.824(3) .
P2 C23 1.825(3) .
P2 C2 1.836(3) .
P3 C53 1.821(3) .
P3 C47 1.823(3) .
P3 C42 1.832(3) .
P4 C59 1.821(3) .
P4 C65 1.825(3) .
P4 C38 1.840(3) .
O1 C1 1.379(3) .
O1 C35 1.436(3) .
O2 C37 1.378(3) .
O2 C36 1.437(4) .
C1 C2 1.394(4) .
C1 C6 1.403(4) .
C2 C3 1.401(4) .
C3 C4 1.390(4) .
C3 H3 0.9500 .
C4 C5 1.405(4) .
C4 C7 1.536(4) .
C5 C6 1.396(4) .
C5 H5 0.9500 .
C7 C9 1.533(5) .
C7 C8 1.536(5) .
C7 C10 1.543(5) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C16 1.378(5) .
C11 C12 1.386(5) .
C12 C13 1.389(6) .
C12 H12 0.9500 .
C13 C14 1.368(6) .
C13 H13 0.9500 .
C14 C15 1.355(7) .
C14 H14 0.9500 .
C15 C16 1.402(6) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C22 1.364(5) .
C17 C18 1.385(5) .
C18 C19 1.389(6) .
C18 H18 0.9500 .
C19 C20 1.350(6) .
C19 H19 0.9500 .
C20 C21 1.382(7) .
C20 H20 0.9500 .
C21 C22 1.393(7) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C28 1.381(5) .
C23 C24 1.393(5) .
C24 C25 1.383(6) .
C24 H24 0.9500 .
C25 C26 1.364(9) .
C25 H25 0.9500 .
C26 C27 1.377(9) .
C26 H26 0.9500 .
C27 C28 1.404(6) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.393(4) .
C29 C34 1.393(4) .
C30 C31 1.377(5) .
C30 H30 0.9500 .
C31 C32 1.386(6) .
C31 H31 0.9500 .
C32 C33 1.374(6) .
C32 H32 0.9500 .
C33 C34 1.380(5) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C36 1.510(4) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.394(4) .
C37 C42 1.398(4) .
C38 C39 1.405(4) .
C39 C40 1.392(4) .
C39 H39 0.9500 .
C40 C41 1.407(4) .
C40 C43 1.534(4) .
C41 C42 1.395(4) .
C41 H41 0.9500 .
C43 C45 1.525(5) .
C43 C44 1.533(5) .
C43 C46 1.541(5) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.391(5) .
C47 C52 1.394(5) .
C48 C49 1.386(5) .
C48 H48 0.9500 .
C49 C50 1.384(6) .
C49 H49 0.9500 .
C50 C51 1.385(6) .
C50 H50 0.9500 .
C51 C52 1.400(6) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C58 1.395(5) .
C53 C54 1.400(4) .
C54 C55 1.386(5) .
C54 H54 0.9500 .
C55 C56 1.380(5) .
C55 H55 0.9500 .
C56 C57 1.382(6) .
C56 H56 0.9500 .
C57 C58 1.390(5) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 C60 1.390(5) .
C59 C64 1.404(5) .
C60 C61 1.397(5) .
C60 H60 0.9500 .
C61 C62 1.385(5) .
C61 H61 0.9500 .
C62 C63 1.401(5) .
C62 H62 0.9500 .
C63 C64 1.384(5) .
C63 H63 0.9500 .
C64 H64 0.9500 .
C65 C70 1.383(5) .
C65 C66 1.386(5) .
C66 C67 1.392(6) .
C66 H66 0.9500 .
C67 C68 1.374(7) .
C67 H67 0.9500 .
C68 C69 1.364(7) .
C68 H68 0.9500 .
C69 C70 1.395(5) .
C69 H69 0.9500 .
C70 H70 0.9500 .
C71 O4 1.262(4) .
C71 O3 1.277(4) .
C71 C72 1.477(5) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
Cl1 O8 1.432(4) .
Cl1 O7 1.434(4) .
Cl1 O6 1.435(4) .
Cl1 O5 1.437(3) .
Cl1' O7' 1.444(11) .
Cl1' O8' 1.445(11) .
Cl1' O5' 1.446(11) .
Cl1' O6' 1.446(11) .
C73 Cl3 1.748(6) .
C73 Cl2 1.750(7) .
C73 Cl4 1.755(6) .
C73 H73A 0.9600 .
C73' Cl3' 1.753(6) .
C73' Cl2' 1.755(6) .
C73' Cl4' 1.759(6) .
C73' H73B 0.9600 .
Cl5 C74 1.765(8) 3_675
Cl5 C74 1.912(6) .
Cl5 H74B 0.829(8) 3_675
Cl6 C74 1.850(6) .
C74 H74A 0.9599 .
C74 H74B 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C36 H36B O7^a 0.99 2.61 3.470(5) 145.0 yes
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
C35 O1 C1 C2 -75.7(4)
C35 O1 C1 C6 111.9(3)
O1 C1 C2 C3 -178.0(3)
C6 C1 C2 C3 -6.1(4)
O1 C1 C2 P2 -3.9(4)
C6 C1 C2 P2 168.0(2)
C29 P2 C2 C1 101.4(3)
C23 P2 C2 C1 -148.6(3)
Cu2 P2 C2 C1 -29.1(3)
C29 P2 C2 C3 -84.8(3)
C23 P2 C2 C3 25.2(3)
Cu2 P2 C2 C3 144.6(2)
C1 C2 C3 C4 0.9(5)
P2 C2 C3 C4 -172.9(2)
C2 C3 C4 C5 3.6(5)
C2 C3 C4 C7 -176.9(3)
C3 C4 C5 C6 -3.2(5)
C7 C4 C5 C6 177.3(3)
C4 C5 C6 C1 -1.7(5)
C4 C5 C6 P1 172.2(3)
O1 C1 C6 C5 178.9(3)
C2 C1 C6 C5 6.5(5)
O1 C1 C6 P1 4.4(4)
C2 C1 C6 P1 -168.0(2)
C17 P1 C6 C5 91.6(3)
C11 P1 C6 C5 -16.7(3)
Cu1 P1 C6 C5 -144.4(3)
C17 P1 C6 C1 -94.3(3)
C11 P1 C6 C1 157.3(2)
Cu1 P1 C6 C1 29.6(3)
C3 C4 C7 C9 -128.5(4)
C5 C4 C7 C9 51.0(4)
C3 C4 C7 C8 -7.0(5)
C5 C4 C7 C8 172.5(3)
C3 C4 C7 C10 112.4(4)
C5 C4 C7 C10 -68.2(4)
C17 P1 C11 C16 6.7(4)
C6 P1 C11 C16 114.3(3)
Cu1 P1 C11 C16 -130.3(3)
C17 P1 C11 C12 -174.5(3)
C6 P1 C11 C12 -66.9(4)
Cu1 P1 C11 C12 48.5(4)
C16 C11 C12 C13 1.5(7)
P1 C11 C12 C13 -177.3(4)
C11 C12 C13 C14 -0.4(9)
C12 C13 C14 C15 -1.5(8)
C13 C14 C15 C16 2.1(8)
C12 C11 C16 C15 -0.9(7)
P1 C11 C16 C15 177.9(4)
C14 C15 C16 C11 -1.0(8)
C11 P1 C17 C22 -102.0(4)
C6 P1 C17 C22 151.2(4)
Cu1 P1 C17 C22 37.0(4)
C11 P1 C17 C18 77.7(4)
C6 P1 C17 C18 -29.0(4)
Cu1 P1 C17 C18 -143.3(3)
C22 C17 C18 C19 -0.8(7)
P1 C17 C18 C19 179.5(4)
C17 C18 C19 C20 1.6(8)
C18 C19 C20 C21 -2.9(8)
C19 C20 C21 C22 3.3(10)
C18 C17 C22 C21 1.3(9)
P1 C17 C22 C21 -179.0(5)
C20 C21 C22 C17 -2.6(11)
C29 P2 C23 C28 -3.3(4)
C2 P2 C23 C28 -112.0(4)
Cu2 P2 C23 C28 127.6(3)
C29 P2 C23 C24 178.4(3)
C2 P2 C23 C24 69.7(3)
Cu2 P2 C23 C24 -50.8(3)
C28 C23 C24 C25 1.8(6)
P2 C23 C24 C25 -179.8(4)
C23 C24 C25 C26 -1.8(8)
C24 C25 C26 C27 0.3(10)
C25 C26 C27 C28 1.2(11)
C24 C23 C28 C27 -0.3(7)
P2 C23 C28 C27 -178.6(4)
C26 C27 C28 C23 -1.2(10)
C23 P2 C29 C30 -57.2(3)
C2 P2 C29 C30 49.9(3)
Cu2 P2 C29 C30 176.5(3)
C23 P2 C29 C34 123.0(2)
C2 P2 C29 C34 -130.0(2)
Cu2 P2 C29 C34 -3.3(3)
C34 C29 C30 C31 -1.9(6)
P2 C29 C30 C31 178.3(4)
C29 C30 C31 C32 1.0(7)
C30 C31 C32 C33 1.3(8)
C31 C32 C33 C34 -2.7(7)
C32 C33 C34 C29 1.7(6)
C30 C29 C34 C33 0.5(5)
P2 C29 C34 C33 -179.6(3)
C1 O1 C35 C36 178.0(2)
C37 O2 C36 C35 175.3(3)
Cu2 O2 C36 C35 -26.6(3)
O1 C35 C36 O2 -42.7(3)
C36 O2 C37 C38 -64.1(4)
Cu2 O2 C37 C38 135.1(3)
C36 O2 C37 C42 123.3(3)
Cu2 O2 C37 C42 -37.5(3)
O2 C37 C38 C39 178.4(3)
C42 C37 C38 C39 -9.5(5)
O2 C37 C38 P4 -9.8(4)
C42 C37 C38 P4 162.3(2)
C59 P4 C38 C37 105.5(3)
C65 P4 C38 C37 -147.7(3)
Cu1 P4 C38 C37 -22.8(3)
C59 P4 C38 C39 -83.0(3)
C65 P4 C38 C39 23.8(3)
Cu1 P4 C38 C39 148.7(2)
C37 C38 C39 C40 3.5(5)
P4 C38 C39 C40 -168.3(3)
C38 C39 C40 C41 4.3(5)
C38 C39 C40 C43 -177.6(3)
C39 C40 C41 C42 -6.3(5)
C43 C40 C41 C42 175.5(3)
C40 C41 C42 C37 0.5(5)
C40 C41 C42 P3 171.4(2)
O2 C37 C42 C41 -179.7(3)
C38 C37 C42 C41 7.6(5)
O2 C37 C42 P3 8.8(4)
C38 C37 C42 P3 -163.9(3)
C53 P3 C42 C41 87.5(3)
C47 P3 C42 C41 -22.8(3)
Cu2 P3 C42 C41 -146.0(3)
C53 P3 C42 C37 -101.4(3)
C47 P3 C42 C37 148.3(2)
Cu2 P3 C42 C37 25.0(3)
C39 C40 C43 C45 -115.9(4)
C41 C40 C43 C45 62.2(4)
C39 C40 C43 C44 5.0(5)
C41 C40 C43 C44 -176.9(3)
C39 C40 C43 C46 124.4(4)
C41 C40 C43 C46 -57.5(4)
C53 P3 C47 C48 170.2(3)
C42 P3 C47 C48 -79.5(3)
Cu2 P3 C47 C48 33.8(3)
C53 P3 C47 C52 -8.8(3)
C42 P3 C47 C52 101.5(3)
Cu2 P3 C47 C52 -145.1(3)
C52 C47 C48 C49 -1.2(5)
P3 C47 C48 C49 179.8(3)
C47 C48 C49 C50 1.8(6)
C48 C49 C50 C51 -0.1(6)
C49 C50 C51 C52 -2.2(7)
C48 C47 C52 C51 -1.2(6)
P3 C47 C52 C51 177.8(3)
C50 C51 C52 C47 2.9(7)
C47 P3 C53 C58 119.7(3)
C42 P3 C53 C58 10.9(3)
Cu2 P3 C53 C58 -105.0(3)
C47 P3 C53 C54 -64.0(3)
C42 P3 C53 C54 -172.8(2)
Cu2 P3 C53 C54 71.3(3)
C58 C53 C54 C55 -1.4(5)
P3 C53 C54 C55 -177.8(3)
C53 C54 C55 C56 1.4(5)
C54 C55 C56 C57 -0.9(6)
C55 C56 C57 C58 0.3(7)
C56 C57 C58 C53 -0.3(6)
C54 C53 C58 C57 0.8(5)
P3 C53 C58 C57 177.1(3)
C65 P4 C59 C60 -116.2(3)
C38 P4 C59 C60 -9.8(3)
Cu1 P4 C59 C60 117.4(3)
C65 P4 C59 C64 66.5(3)
C38 P4 C59 C64 172.9(3)
Cu1 P4 C59 C64 -59.9(3)
C64 C59 C60 C61 2.5(5)
P4 C59 C60 C61 -174.8(3)
C59 C60 C61 C62 -1.1(5)
C60 C61 C62 C63 -1.3(6)
C61 C62 C63 C64 2.4(6)
C62 C63 C64 C59 -1.0(6)
C60 C59 C64 C63 -1.4(5)
P4 C59 C64 C63 176.0(3)
C59 P4 C65 C70 10.2(4)
C38 P4 C65 C70 -98.5(3)
Cu1 P4 C65 C70 137.3(3)
C59 P4 C65 C66 -168.6(3)
C38 P4 C65 C66 82.7(4)
Cu1 P4 C65 C66 -41.6(4)
C70 C65 C66 C67 -0.7(7)
P4 C65 C66 C67 178.2(4)
C65 C66 C67 C68 0.5(9)
C66 C67 C68 C69 -0.2(9)
C67 C68 C69 C70 0.2(8)
C66 C65 C70 C69 0.7(6)
P4 C65 C70 C69 -178.1(3)
C68 C69 C70 C65 -0.5(7)
O4 C71 O3 Cu1 54.5(6)
C72 C71 O3 Cu1 -134.5(4)
O3 C71 O4 Cu2 -0.2(6)
C72 C71 O4 Cu2 -171.4(4)
