#------------------------------------------------------------------------------
#$Date: 2015-08-05 20:35:02 +0300 (Wed, 05 Aug 2015) $
#$Revision: 152793 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343364.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_4343364
loop_
_publ_author_name
'Siddiqui, Mujahuddin M.'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Diamondoid-Type Copper Coordination Polymers Containing Soft
 Cyclodiphosphazane Ligands.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6063
_journal_page_last               6065
_journal_paper_doi               10.1021/acs.inorgchem.5b00525
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C28 H34 Cu4 I4 N4 P2'
_chemical_formula_sum            'C28 H34 Cu4 I4 N4 P2'
_chemical_formula_weight         1250.29
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                92.574(3)
_cell_angle_beta                 96.485(3)
_cell_angle_gamma                90.109(3)
_cell_formula_units_Z            4
_cell_length_a                   9.606(2)
_cell_length_b                   18.495(4)
_cell_length_c                   21.830(5)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.212
_cell_measurement_theta_min      2.358
_cell_volume                     3849.6(15)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'SHELXTL (Bruker AXS, 2008)'
_computing_publication_material  'SHELXTL (Bruker AXS, 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.3660
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0698
_diffrn_reflns_laue_measured_fraction_full 0.966
_diffrn_reflns_laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            82521
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         27.922
_diffrn_reflns_theta_min         2.134
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.495
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_correction_T_min  0.42
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.193
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.062
_exptl_transmission_factor_max   0.563
_exptl_transmission_factor_min   0.318
_refine_diff_density_max         3.541
_refine_diff_density_min         -4.779
_refine_diff_density_rms         0.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         24879
_refine_ls_number_restraints     421
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+244.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2426
_refine_ls_wR_factor_ref         0.2494
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20638
_reflns_number_total             24879
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00525_si_002.cif
_cod_data_source_block           msb474a_0m
_cod_depositor_comments
'Adding full bibliography for 4343363--4343365.cif.'
_cod_original_cell_volume        3849.2(15)
_cod_database_code               4343364
_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   0.417
_shelx_estimated_absorpt_t_max   0.727
_shelxl_version_number           2013-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.4067(3) 0.88036(16) 0.29131(16) 0.0283(7) Uani 1 1 d . . . . .
Cu2 Cu 0.7441(3) 0.87303(16) 0.28990(16) 0.0282(7) Uani 1 1 d . . . . .
Cu3 Cu 0.6134(4) 0.95666(18) 0.37271(19) 0.0421(9) Uani 1 1 d . . . . .
Cu4 Cu 0.5811(4) 0.81159(19) 0.3787(2) 0.0452(10) Uani 1 1 d . . . . .
I1 I 0.57641(17) 0.98268(9) 0.25365(9) 0.0301(4) Uani 1 1 d . . . . .
I2 I 0.3825(2) 0.90646(11) 0.41041(9) 0.0380(4) Uani 1 1 d . . . . .
I3 I 0.55712(17) 0.76541(9) 0.26020(10) 0.0339(4) Uani 1 1 d . . . . .
I4 I 0.83325(19) 0.86759(10) 0.41031(9) 0.0360(4) Uani 1 1 d . . . . .
P1 P 0.1948(6) 0.8781(3) 0.2380(3) 0.0219(13) Uani 1 1 d . . . . .
P2 P -0.0703(6) 0.8718(3) 0.2380(3) 0.0165(12) Uani 1 1 d . . . . .
N1 N 0.0585(19) 0.9374(9) 0.2487(9) 0.019(4) Uani 1 1 d . U . . .
N2 N 0.0674(18) 0.8165(9) 0.2434(9) 0.015(4) Uani 1 1 d . U . . .
N3 N 0.520(3) 0.7241(15) 0.4221(14) 0.054(7) Uani 1 1 d . U . . .
N4 N 0.686(3) 1.0487(14) 0.4146(13) 0.050(7) Uani 1 1 d . U . . .
C1 C 0.049(2) 1.0151(10) 0.2520(10) 0.013(4) Uani 1 1 d . U . . .
C2 C 0.200(2) 1.0454(12) 0.2551(12) 0.024(5) Uani 1 1 d . U . . .
H2A H 0.2377 1.0332 0.2161 0.036 Uiso 1 1 calc R U . . .
H2B H 0.2585 1.0240 0.2892 0.036 Uiso 1 1 calc R U . . .
H2C H 0.1984 1.0981 0.2620 0.036 Uiso 1 1 calc R U . . .
C3 C -0.043(3) 1.0437(12) 0.1990(12) 0.026(5) Uani 1 1 d . U . . .
H3A H -0.0076 1.0277 0.1603 0.039 Uiso 1 1 calc R U . . .
H3B H -0.0426 1.0967 0.2025 0.039 Uiso 1 1 calc R U . . .
H3C H -0.1385 1.0255 0.1995 0.039 Uiso 1 1 calc R U . . .
C4 C -0.001(3) 1.0390(15) 0.3152(13) 0.038(7) Uani 1 1 d . U . . .
H4A H 0.0633 1.0207 0.3488 0.057 Uiso 1 1 calc R U . . .
H4B H -0.0955 1.0193 0.3173 0.057 Uiso 1 1 calc R U . . .
H4C H -0.0040 1.0920 0.3191 0.057 Uiso 1 1 calc R U . . .
C5 C 0.081(2) 0.7354(10) 0.2490(11) 0.014(4) Uani 1 1 d . U . . .
C6 C 0.159(3) 0.7187(17) 0.3100(15) 0.048(8) Uani 1 1 d . U . . .
H6A H 0.1104 0.7402 0.3434 0.072 Uiso 1 1 calc R U . . .
H6B H 0.2541 0.7390 0.3128 0.072 Uiso 1 1 calc R U . . .
H6C H 0.1642 0.6662 0.3137 0.072 Uiso 1 1 calc R U . . .
C7 C 0.152(3) 0.7039(16) 0.1958(16) 0.048(8) Uani 1 1 d . U . . .
H7A H 0.1013 0.7180 0.1568 0.073 Uiso 1 1 calc R U . . .
H7B H 0.1534 0.6510 0.1972 0.073 Uiso 1 1 calc R U . . .
H7C H 0.2487 0.7223 0.1991 0.073 Uiso 1 1 calc R U . . .
C8 C -0.070(3) 0.7027(16) 0.2412(16) 0.048(8) Uani 1 1 d . U . . .
H8A H -0.1191 0.7163 0.2017 0.073 Uiso 1 1 calc R U . . .
H8B H -0.1209 0.7213 0.2749 0.073 Uiso 1 1 calc R U . . .
H8C H -0.0645 0.6498 0.2421 0.073 Uiso 1 1 calc R U . . .
C9 C 0.217(3) 0.8802(14) 0.1595(13) 0.032(6) Uani 1 1 d . U . . .
C10 C 0.250(3) 0.8796(14) 0.1077(13) 0.032(6) Uani 1 1 d . U . . .
C11 C 0.284(3) 0.8856(16) 0.0474(15) 0.045(7) Uani 1 1 d . U . . .
C12 C 0.409(4) 0.9055(19) 0.0327(18) 0.060(9) Uani 1 1 d . U . . .
H12 H 0.4802 0.9178 0.0651 0.072 Uiso 1 1 calc R U . . .
C13 C 0.440(4) 0.909(2) -0.0291(19) 0.069(10) Uani 1 1 d . U . . .
H13 H 0.5298 0.9241 -0.0379 0.083 Uiso 1 1 calc R U . . .
C14 C 0.334(4) 0.890(2) -0.077(2) 0.067(11) Uani 1 1 d . U . . .
H14 H 0.3525 0.8939 -0.1186 0.080 Uiso 1 1 calc R U . . .
C15 C 0.207(4) 0.866(2) -0.065(2) 0.073(11) Uani 1 1 d . U . . .
H15 H 0.1348 0.8528 -0.0971 0.088 Uiso 1 1 calc R U . . .
C16 C 0.187(4) 0.8617(18) -0.0045(17) 0.057(9) Uani 1 1 d . U . . .
H16 H 0.1015 0.8409 0.0042 0.068 Uiso 1 1 calc R U . . .
C17 C -0.125(3) 0.8685(14) 0.1583(12) 0.029(6) Uani 1 1 d . U . . .
C18 C -0.156(3) 0.8690(17) 0.1042(16) 0.049(8) Uani 1 1 d . U . . .
C19 C -0.175(3) 0.8699(14) 0.0369(13) 0.030(6) Uani 1 1 d . U . . .
C20 C -0.197(4) 0.809(2) 0.003(2) 0.076(12) Uani 1 1 d . U . . .
H20 H -0.2080 0.7648 0.0220 0.092 Uiso 1 1 calc R U . . .
C21 C -0.206(5) 0.810(2) -0.066(2) 0.087(14) Uani 1 1 d . U . . .
H21 H -0.2217 0.7660 -0.0902 0.105 Uiso 1 1 calc R U . . .
C22 C -0.191(4) 0.8718(18) -0.0917(17) 0.056(9) Uani 1 1 d . U . . .
H22 H -0.1949 0.8730 -0.1354 0.067 Uiso 1 1 calc R U . . .
C23 C -0.170(3) 0.9331(16) -0.0571(14) 0.041(7) Uani 1 1 d . U . . .
H23 H -0.1608 0.9775 -0.0766 0.049 Uiso 1 1 calc R U . . .
C24 C -0.161(3) 0.9332(16) 0.0079(15) 0.043(7) Uani 1 1 d . U . . .
H24 H -0.1443 0.9773 0.0316 0.051 Uiso 1 1 calc R U . . .
C25 C 0.466(3) 0.6755(15) 0.4319(14) 0.036(6) Uani 1 1 d . U . . .
C26 C 0.386(4) 0.613(2) 0.4480(19) 0.072(11) Uani 1 1 d . U . . .
H26A H 0.3957 0.6092 0.4929 0.108 Uiso 1 1 calc R U . . .
H26B H 0.4225 0.5685 0.4291 0.108 Uiso 1 1 calc R U . . .
H26C H 0.2870 0.6181 0.4326 0.108 Uiso 1 1 calc R U . . .
C27 C 0.747(3) 1.1003(17) 0.4318(15) 0.042(7) Uani 1 1 d . U . . .
C28 C 0.831(4) 1.1627(19) 0.4566(19) 0.069(11) Uani 1 1 d . U . . .
H28A H 0.9014 1.1477 0.4894 0.104 Uiso 1 1 calc R U . . .
H28B H 0.7694 1.1990 0.4736 0.104 Uiso 1 1 calc R U . . .
H28C H 0.8769 1.1835 0.4237 0.104 Uiso 1 1 calc R U . . .
Cu5 Cu 0.9028(3) 0.37393(16) 0.28770(16) 0.0278(7) Uani 1 1 d . . . . .
Cu6 Cu 1.2412(3) 0.38186(17) 0.29517(17) 0.0308(8) Uani 1 1 d . . . . .
Cu7 Cu 1.0697(4) 0.45390(19) 0.3772(2) 0.0460(10) Uani 1 1 d . . . . .
Cu8 Cu 1.0980(4) 0.30928(18) 0.37485(18) 0.0416(9) Uani 1 1 d . . . . .
I5 I 1.05428(17) 0.48482(9) 0.25769(10) 0.0322(4) Uani 1 1 d . . . . .
I6 I 0.8649(2) 0.36394(10) 0.40813(9) 0.0364(4) Uani 1 1 d . . . . .
I7 I 1.07446(17) 0.26752(8) 0.25606(9) 0.0298(4) Uani 1 1 d . . . . .
I8 I 1.3183(2) 0.40308(11) 0.41545(10) 0.0412(5) Uani 1 1 d . . . . .
P3 P 0.6884(6) 0.3717(3) 0.2375(3) 0.0188(12) Uani 1 1 d . . . . .
P4 P 0.4259(6) 0.3785(3) 0.2420(3) 0.0185(12) Uani 1 1 d . . . . .
N5 N 0.5688(18) 0.4371(9) 0.2499(9) 0.016(4) Uani 1 1 d . U . . .
N6 N 0.5518(19) 0.3134(10) 0.2476(9) 0.019(4) Uani 1 1 d . U . . .
N7 N 1.017(3) 0.5484(13) 0.4149(12) 0.040(6) Uani 1 1 d . U . . .
N8 N 1.176(2) 0.2193(13) 0.4131(12) 0.041(6) Uani 1 1 d . U . . .
C29 C 0.582(2) 0.5176(12) 0.2549(12) 0.022(5) Uani 1 1 d . U . . .
C30 C 0.430(2) 0.5466(13) 0.2510(13) 0.030(6) Uani 1 1 d . U . . .
H30A H 0.3847 0.5298 0.2858 0.044 Uiso 1 1 calc R U . . .
H30B H 0.3776 0.5287 0.2122 0.044 Uiso 1 1 calc R U . . .
H30C H 0.4322 0.5996 0.2525 0.044 Uiso 1 1 calc R U . . .
C31 C 0.645(3) 0.5434(14) 0.2010(14) 0.037(7) Uani 1 1 d . U . . .
H31A H 0.7397 0.5242 0.2009 0.055 Uiso 1 1 calc R U . . .
H31B H 0.6486 0.5964 0.2032 0.055 Uiso 1 1 calc R U . . .
H31C H 0.5874 0.5266 0.1630 0.055 Uiso 1 1 calc R U . . .
C32 C 0.666(3) 0.5361(15) 0.3152(14) 0.040(7) Uani 1 1 d . U . . .
H32A H 0.6170 0.5183 0.3487 0.060 Uiso 1 1 calc R U . . .
H32B H 0.6771 0.5887 0.3205 0.060 Uiso 1 1 calc R U . . .
H32C H 0.7580 0.5134 0.3161 0.060 Uiso 1 1 calc R U . . .
C33 C 0.551(3) 0.2350(12) 0.2525(12) 0.023(5) Uani 1 1 d . U . . .
C34 C 0.452(3) 0.2058(12) 0.1966(12) 0.027(5) Uani 1 1 d . U . . .
H34A H 0.3579 0.2259 0.1988 0.041 Uiso 1 1 calc R U . . .
H34B H 0.4470 0.1529 0.1969 0.041 Uiso 1 1 calc R U . . .
H34C H 0.4870 0.2201 0.1585 0.041 Uiso 1 1 calc R U . . .
C35 C 0.698(3) 0.2079(13) 0.2512(14) 0.033(6) Uani 1 1 d . U . . .
H35A H 0.7315 0.2191 0.2119 0.049 Uiso 1 1 calc R U . . .
H35B H 0.6996 0.1554 0.2556 0.049 Uiso 1 1 calc R U . . .
H35C H 0.7594 0.2315 0.2853 0.049 Uiso 1 1 calc R U . . .
C36 C 0.497(3) 0.2156(15) 0.3128(14) 0.038(7) Uani 1 1 d . U . . .
H36A H 0.3995 0.2312 0.3126 0.057 Uiso 1 1 calc R U . . .
H36B H 0.5547 0.2401 0.3475 0.057 Uiso 1 1 calc R U . . .
H36C H 0.5022 0.1631 0.3170 0.057 Uiso 1 1 calc R U . . .
C37 C 0.690(3) 0.3658(14) 0.1571(13) 0.031(6) Uani 1 1 d . U . . .
C38 C 0.683(3) 0.3623(15) 0.1022(14) 0.039(7) Uani 1 1 d . U . . .
C39 C 0.654(3) 0.3571(16) 0.0353(15) 0.042(7) Uani 1 1 d . U . . .
C40 C 0.664(4) 0.420(2) 0.0041(19) 0.063(10) Uani 1 1 d . U . . .
H40 H 0.6889 0.4645 0.0256 0.076 Uiso 1 1 calc R U . . .
C41 C 0.635(5) 0.415(3) -0.060(2) 0.088(14) Uani 1 1 d . U . . .
H41 H 0.6458 0.4574 -0.0828 0.106 Uiso 1 1 calc R U . . .
C42 C 0.595(4) 0.355(2) -0.091(2) 0.080(13) Uani 1 1 d . U . . .
H42 H 0.5803 0.3554 -0.1348 0.096 Uiso 1 1 calc R U . . .
C43 C 0.573(5) 0.294(3) -0.066(2) 0.094(15) Uani 1 1 d . U . . .
H43 H 0.5332 0.2525 -0.0887 0.113 Uiso 1 1 calc R U . . .
C44 C 0.616(5) 0.295(3) 0.004(2) 0.098(15) Uani 1 1 d . U . . .
H44 H 0.6154 0.2511 0.0246 0.117 Uiso 1 1 calc R U . . .
C45 C 0.359(3) 0.3768(13) 0.1622(12) 0.027(5) Uani 1 1 d . U . . .
C46 C 0.290(3) 0.3855(15) 0.1166(14) 0.039(7) Uani 1 1 d D U . . .
C47 C 0.222(2) 0.3990(13) 0.0523(8) 0.025(6) Uani 0.51(3) 1 d DG U P A 1
C48 C 0.289(2) 0.3737(15) 0.0025(11) 0.053(11) Uani 0.51(3) 1 d G U P A 1
H48 H 0.3768 0.3503 0.0094 0.064 Uiso 0.51(3) 1 calc R U P A 1
C49 C 0.227(3) 0.3826(16) -0.0574(9) 0.059(11) Uani 0.51(3) 1 d G U P A 1
H49 H 0.2730 0.3653 -0.0915 0.071 Uiso 0.51(3) 1 calc R U P A 1
C50 C 0.098(3) 0.4169(17) -0.0675(10) 0.072(16) Uani 0.51(3) 1 d G U P A 1
H50 H 0.0563 0.4229 -0.1084 0.086 Uiso 0.51(3) 1 calc R U P A 1
C51 C 0.031(3) 0.4422(18) -0.0176(13) 0.070(15) Uani 0.51(3) 1 d G U P A 1
H51 H -0.0566 0.4656 -0.0245 0.083 Uiso 0.51(3) 1 calc R U P A 1
C52 C 0.093(3) 0.4333(15) 0.0423(11) 0.053(12) Uani 0.51(3) 1 d G U P A 1
H52 H 0.0472 0.4506 0.0763 0.064 Uiso 0.51(3) 1 calc R U P A 1
C47A C 0.207(2) 0.3807(13) 0.0546(8) 0.025(6) Uani 0.49(3) 1 d DG U P A 2
C48A C 0.2786(19) 0.3988(14) 0.0054(10) 0.053(11) Uani 0.49(3) 1 d G U P A 2
H48A H 0.3759 0.4099 0.0121 0.064 Uiso 0.49(3) 1 calc R U P A 2
C49A C 0.208(3) 0.4006(15) -0.0536(9) 0.059(11) Uani 0.49(3) 1 d G U P A 2
H49A H 0.2562 0.4129 -0.0873 0.071 Uiso 0.49(3) 1 calc R U P A 2
C50A C 0.065(3) 0.3843(18) -0.0634(10) 0.072(16) Uani 0.49(3) 1 d G U P A 2
H50A H 0.0166 0.3856 -0.1038 0.086 Uiso 0.49(3) 1 calc R U P A 2
C51A C -0.006(2) 0.366(2) -0.0142(14) 0.070(15) Uani 0.49(3) 1 d G U P A 2
H51A H -0.1034 0.3552 -0.0209 0.083 Uiso 0.49(3) 1 calc R U P A 2
C52A C 0.065(2) 0.3645(18) 0.0448(12) 0.053(12) Uani 0.49(3) 1 d G U P A 2
H52A H 0.0162 0.3521 0.0784 0.064 Uiso 0.49(3) 1 calc R U P A 2
C53 C 0.960(3) 0.5999(15) 0.4265(14) 0.038(7) Uani 1 1 d . U . . .
C54 C 0.887(4) 0.6650(17) 0.4415(17) 0.054(9) Uani 1 1 d . U . . .
H54A H 0.8275 0.6556 0.4739 0.082 Uiso 1 1 calc R U . . .
H54B H 0.8294 0.6805 0.4047 0.082 Uiso 1 1 calc R U . . .
H54C H 0.9554 0.7031 0.4563 0.082 Uiso 1 1 calc R U . . .
C55 C 1.242(3) 0.1737(16) 0.4257(14) 0.039(7) Uani 1 1 d . U . . .
C56 C 1.328(4) 0.1094(19) 0.4376(17) 0.060(9) Uani 1 1 d . U . . .
H56A H 1.4007 0.1204 0.4718 0.091 Uiso 1 1 calc R U . . .
H56B H 1.3711 0.0947 0.4005 0.091 Uiso 1 1 calc R U . . .
H56C H 1.2680 0.0699 0.4484 0.091 Uiso 1 1 calc 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'
N N 0.0061 0.0033 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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 I2 109.5(2) . .
P1 Cu1 I3 111.1(2) . .
I2 Cu1 I3 117.68(13) . .
P1 Cu1 I1 112.5(2) . .
I2 Cu1 I1 108.66(12) . .
I3 Cu1 I1 96.87(11) . .
P1 Cu1 Cu4 144.5(2) . .
I2 Cu1 Cu4 60.34(12) . .
I3 Cu1 Cu4 58.94(12) . .
I1 Cu1 Cu4 102.78(13) . .
P1 Cu1 Cu3 149.0(2) . .
I2 Cu1 Cu3 57.10(11) . .
I3 Cu1 Cu3 99.52(13) . .
I1 Cu1 Cu3 56.97(11) . .
Cu4 Cu1 Cu3 57.99(13) . .
P2 Cu2 I4 108.4(2) 1_655 .
P2 Cu2 I1 109.3(2) 1_655 .
I4 Cu2 I1 117.84(13) . .
P2 Cu2 I3 116.1(2) 1_655 .
I4 Cu2 I3 107.91(13) . .
I1 Cu2 I3 97.33(11) . .
P2 Cu2 Cu3 141.7(2) 1_655 .
I4 Cu2 Cu3 61.13(12) . .
I1 Cu2 Cu3 58.47(11) . .
I3 Cu2 Cu3 101.87(13) . .
P2 Cu2 Cu4 150.9(2) 1_655 .
I4 Cu2 Cu4 56.38(11) . .
I1 Cu2 Cu4 99.78(12) . .
I3 Cu2 Cu4 57.08(11) . .
Cu3 Cu2 Cu4 57.45(12) . .
N4 Cu3 I2 115.3(8) . .
N4 Cu3 I1 105.3(8) . .
I2 Cu3 I1 111.37(16) . .
N4 Cu3 Cu4 147.6(9) . .
I2 Cu3 Cu4 61.19(12) . .
I1 Cu3 Cu4 105.54(16) . .
N4 Cu3 Cu2 126.1(8) . .
I2 Cu3 Cu2 118.38(15) . .
I1 Cu3 Cu2 59.71(12) . .
Cu4 Cu3 Cu2 64.13(13) . .
N4 Cu3 I4 99.1(8) . .
I2 Cu3 I4 109.13(14) . .
I1 Cu3 I4 116.32(14) . .
Cu4 Cu3 I4 57.72(12) . .
Cu2 Cu3 I4 58.32(11) . .
N4 Cu3 Cu1 149.8(8) . .
I2 Cu3 Cu1 58.01(11) . .
I1 Cu3 Cu1 59.08(11) . .
Cu4 Cu3 Cu1 59.38(13) . .
Cu2 Cu3 Cu1 71.19(12) . .
I4 Cu3 Cu1 110.98(14) . .
N3 Cu4 I4 119.7(8) . .
N3 Cu4 I3 103.1(9) . .
I4 Cu4 I3 109.49(15) . .
N3 Cu4 Cu3 150.9(8) . .
I4 Cu4 Cu3 61.98(12) . .
I3 Cu4 Cu3 103.01(16) . .
N3 Cu4 I2 98.7(8) . .
I4 Cu4 I2 110.01(15) . .
I3 Cu4 I2 115.78(15) . .
Cu3 Cu4 I2 57.98(12) . .
N3 Cu4 Cu1 122.7(8) . .
I4 Cu4 Cu1 117.57(15) . .
I3 Cu4 Cu1 59.17(12) . .
Cu3 Cu4 Cu1 62.62(13) . .
I2 Cu4 Cu1 58.15(11) . .
N3 Cu4 Cu2 149.8(8) . .
I4 Cu4 Cu2 57.67(11) . .
I3 Cu4 Cu2 57.55(11) . .
Cu3 Cu4 Cu2 58.42(12) . .
I2 Cu4 Cu2 110.51(14) . .
Cu1 Cu4 Cu2 70.20(13) . .
Cu3 I1 Cu2 61.82(11) . .
Cu3 I1 Cu1 63.95(11) . .
Cu2 I1 Cu1 74.04(10) . .
Cu3 I2 Cu1 64.89(11) . .
Cu3 I2 Cu4 60.83(11) . .
Cu1 I2 Cu4 61.51(12) . .
Cu4 I3 Cu1 61.89(12) . .
Cu4 I3 Cu2 65.37(11) . .
Cu1 I3 Cu2 74.52(10) . .
Cu4 I4 Cu2 65.96(12) . .
Cu4 I4 Cu3 60.30(11) . .
Cu2 I4 Cu3 60.55(11) . .
N2 P1 N1 81.4(9) . .
N2 P1 C9 106.4(11) . .
N1 P1 C9 105.5(12) . .
N2 P1 Cu1 125.9(7) . .
N1 P1 Cu1 126.3(7) . .
C9 P1 Cu1 107.8(9) . .
N2 P2 N1 82.5(9) . .
N2 P2 C17 102.8(11) . .
N1 P2 C17 104.9(11) . .
N2 P2 Cu2 129.3(7) . 1_455
N1 P2 Cu2 123.1(7) . 1_455
C17 P2 Cu2 109.7(9) . 1_455
C1 N1 P2 130.8(15) . .
C1 N1 P1 133.0(15) . .
P2 N1 P1 95.0(9) . .
C5 N2 P2 132.6(13) . .
C5 N2 P1 128.6(13) . .
P2 N2 P1 98.8(9) . .
C25 N3 Cu4 162(3) . .
C27 N4 Cu3 167(3) . .
N1 C1 C3 112.7(18) . .
N1 C1 C2 107.2(17) . .
C3 C1 C2 111.3(18) . .
N1 C1 C4 108.3(18) . .
C3 C1 C4 112(2) . .
C2 C1 C4 105.0(19) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6 C5 C7 112(2) . .
C6 C5 N2 110.2(19) . .
C7 C5 N2 109.2(19) . .
C6 C5 C8 112(2) . .
C7 C5 C8 106(2) . .
N2 C5 C8 107.6(18) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 P1 171(3) . .
C9 C10 C11 175(3) . .
C12 C11 C10 125(3) . .
C12 C11 C16 114(3) . .
C10 C11 C16 121(3) . .
C11 C12 C13 123(4) . .
C11 C12 H12 118.4 . .
C13 C12 H12 118.4 . .
C14 C13 C12 118(4) . .
C14 C13 H13 120.8 . .
C12 C13 H13 120.8 . .
C15 C14 C13 121(4) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C16 C15 C14 116(4) . .
C16 C15 H15 121.8 . .
C14 C15 H15 121.8 . .
C15 C16 C11 126(4) . .
C15 C16 H16 116.9 . .
C11 C16 H16 116.9 . .
C18 C17 P2 176(3) . .
C17 C18 C19 173(3) . .
C20 C19 C24 119(3) . .
C20 C19 C18 121(3) . .
C24 C19 C18 120(3) . .
C19 C20 C21 121(4) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C22 C21 C20 119(4) . .
C22 C21 H21 120.7 . .
C20 C21 H21 120.7 . .
C21 C22 C23 120(4) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C24 121(3) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C19 C24 C23 120(3) . .
C19 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
N3 C25 C26 176(4) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N4 C27 C28 176(4) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
P3 Cu5 I5 112.1(2) . .
P3 Cu5 I7 116.0(2) . .
I5 Cu5 I7 97.58(11) . .
P3 Cu5 I6 105.1(2) . .
I5 Cu5 I6 117.57(13) . .
I7 Cu5 I6 108.79(13) . .
P3 Cu5 Cu7 141.2(2) . .
I5 Cu5 Cu7 59.35(12) . .
I7 Cu5 Cu7 102.75(13) . .
I6 Cu5 Cu7 60.06(13) . .
P3 Cu5 Cu8 147.4(2) . .
I5 Cu5 Cu8 100.41(13) . .
I7 Cu5 Cu8 57.59(11) . .
I6 Cu5 Cu8 56.53(11) . .
Cu7 Cu5 Cu8 57.58(13) . .
P4 Cu6 I8 111.4(2) 1_655 .
P4 Cu6 I7 108.1(2) 1_655 .
I8 Cu6 I7 118.69(13) . .
P4 Cu6 I5 112.8(2) 1_655 .
I8 Cu6 I5 108.97(13) . .
I7 Cu6 I5 96.13(12) . .
P4 Cu6 Cu8 144.7(2) 1_655 .
I8 Cu6 Cu8 61.94(13) . .
I7 Cu6 Cu8 58.59(11) . .
I5 Cu6 Cu8 101.56(13) . .
P4 Cu6 Cu7 151.5(2) 1_655 .
I8 Cu6 Cu7 56.83(12) . .
I7 Cu6 Cu7 99.90(13) . .
I5 Cu6 Cu7 57.58(11) . .
Cu8 Cu6 Cu7 57.46(12) . .
N7 Cu7 I8 116.9(7) . .
N7 Cu7 I5 101.0(8) . .
I8 Cu7 I5 110.64(16) . .
N7 Cu7 Cu8 153.5(8) . .
I8 Cu7 Cu8 62.88(12) . .
I5 Cu7 Cu8 103.40(16) . .
N7 Cu7 I6 102.0(7) . .
I8 Cu7 I6 110.09(15) . .
I5 Cu7 I6 115.86(15) . .
Cu8 Cu7 I6 57.81(12) . .
N7 Cu7 Cu5 124.9(7) . .
I8 Cu7 Cu5 118.12(15) . .
I5 Cu7 Cu5 58.55(12) . .
Cu8 Cu7 Cu5 62.48(13) . .
I6 Cu7 Cu5 59.10(11) . .
N7 Cu7 Cu6 145.9(7) . .
I8 Cu7 Cu6 57.79(12) . .
I5 Cu7 Cu6 58.47(12) . .
Cu8 Cu7 Cu6 58.95(12) . .
I6 Cu7 Cu6 111.40(14) . .
Cu5 Cu7 Cu6 70.48(13) . .
N8 Cu8 I6 119.7(7) . .
N8 Cu8 I7 100.5(8) . .
I6 Cu8 I7 112.39(16) . .
N8 Cu8 Cu7 150.5(8) . .
I6 Cu8 Cu7 62.00(12) . .
I7 Cu8 Cu7 105.43(16) . .
N8 Cu8 Cu6 120.9(7) . .
I6 Cu8 Cu6 119.25(15) . .
I7 Cu8 Cu6 60.09(11) . .
Cu7 Cu8 Cu6 63.59(14) . .
N8 Cu8 I8 98.5(7) . .
I6 Cu8 I8 109.12(14) . .
I7 Cu8 I8 116.07(14) . .
Cu7 Cu8 I8 57.52(12) . .
Cu6 Cu8 I8 57.72(11) . .
N8 Cu8 Cu5 148.9(7) . .
I6 Cu8 Cu5 59.51(11) . .
I7 Cu8 Cu5 58.61(11) . .
Cu7 Cu8 Cu5 59.95(13) . .
Cu6 Cu8 Cu5 71.31(12) . .
I8 Cu8 Cu5 111.22(14) . .
Cu5 I5 Cu7 62.10(11) . .
Cu5 I5 Cu6 74.19(10) . .
Cu7 I5 Cu6 63.95(12) . .
Cu8 I6 Cu5 63.96(11) . .
Cu8 I6 Cu7 60.18(11) . .
Cu5 I6 Cu7 60.83(12) . .
Cu8 I7 Cu5 63.80(11) . .
Cu8 I7 Cu6 61.33(11) . .
Cu5 I7 Cu6 73.95(10) . .
Cu7 I8 Cu6 65.38(12) . .
Cu7 I8 Cu8 59.60(11) . .
Cu6 I8 Cu8 60.34(11) . .
N5 P3 N6 83.5(9) . .
N5 P3 C37 104.7(11) . .
N6 P3 C37 102.0(11) . .
N5 P3 Cu5 121.9(7) . .
N6 P3 Cu5 127.3(7) . .
C37 P3 Cu5 112.4(9) . .
N6 P4 N5 83.5(9) . .
N6 P4 C45 105.3(11) . .
N5 P4 C45 106.1(10) . .
N6 P4 Cu6 124.5(7) . 1_455
N5 P4 Cu6 127.7(7) . 1_455
C45 P4 Cu6 106.5(8) . 1_455
C29 N5 P3 131.2(14) . .
C29 N5 P4 133.0(14) . .
P3 N5 P4 95.1(9) . .
C33 N6 P4 134.8(16) . .
C33 N6 P3 130.0(15) . .
P4 N6 P3 94.9(9) . .
C53 N7 Cu7 164(2) . .
C55 N8 Cu8 164(3) . .
C31 C29 C32 114(2) . .
C31 C29 N5 109.6(19) . .
C32 C29 N5 107(2) . .
C31 C29 C30 107(2) . .
C32 C29 C30 113(2) . .
N5 C29 C30 105.8(18) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N6 C33 C35 108.6(18) . .
N6 C33 C36 110(2) . .
C35 C33 C36 110(2) . .
N6 C33 C34 105.3(19) . .
C35 C33 C34 112(2) . .
C36 C33 C34 111(2) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 P3 176(3) . .
C37 C38 C39 172(3) . .
C44 C39 C40 119(4) . .
C44 C39 C38 123(3) . .
C40 C39 C38 118(3) . .
C39 C40 C41 118(4) . .
C39 C40 H40 121.1 . .
C41 C40 H40 121.1 . .
C42 C41 C40 122(5) . .
C42 C41 H41 118.9 . .
C40 C41 H41 118.9 . .
C43 C42 C41 125(5) . .
C43 C42 H42 117.6 . .
C41 C42 H42 117.6 . .
C42 C43 C44 114(5) . .
C42 C43 H43 122.9 . .
C44 C43 H43 122.9 . .
C39 C44 C43 121(5) . .
C39 C44 H44 119.6 . .
C43 C44 H44 119.6 . .
C46 C45 P4 163(3) . .
C45 C46 C47A 168(3) . .
C45 C46 C47 171(3) . .
C48 C47 C52 120.0 . .
C48 C47 C46 118.1(19) . .
C52 C47 C46 121.8(18) . .
C49 C48 C47 120.0 . .
C49 C48 H48 120.0 . .
C47 C48 H48 120.0 . .
C48 C49 C50 120.0 . .
C48 C49 H49 120.0 . .
C50 C49 H49 120.0 . .
C49 C50 C51 120.0 . .
C49 C50 H50 120.0 . .
C51 C50 H50 120.0 . .
C52 C51 C50 120.0 . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C51 C52 C47 120.0 . .
C51 C52 H52 120.0 . .
C47 C52 H52 120.0 . .
C48A C47A C52A 120.0 . .
C48A C47A C46 116.0(18) . .
C52A C47A C46 123.9(18) . .
C47A C48A C49A 120.0 . .
C47A C48A H48A 120.0 . .
C49A C48A H48A 120.0 . .
C50A C49A C48A 120.0 . .
C50A C49A H49A 120.0 . .
C48A C49A H49A 120.0 . .
C49A C50A C51A 120.0 . .
C49A C50A H50A 120.0 . .
C51A C50A H50A 120.0 . .
C52A C51A C50A 120.0 . .
C52A C51A H51A 120.0 . .
C50A C51A H51A 120.0 . .
C51A C52A C47A 120.0 . .
C51A C52A H52A 120.0 . .
C47A C52A H52A 120.0 . .
N7 C53 C54 180(4) . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N8 C55 C56 175(4) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.226(7) .
Cu1 I2 2.659(4) .
Cu1 I3 2.678(4) .
Cu1 I1 2.711(3) .
Cu1 Cu4 2.751(5) .
Cu1 Cu3 2.839(5) .
Cu2 P2 2.217(6) 1_655
Cu2 I4 2.677(4) .
Cu2 I1 2.684(4) .
Cu2 I3 2.686(3) .
Cu2 Cu3 2.740(5) .
Cu2 Cu4 2.894(5) .
Cu3 N4 1.98(3) .
Cu3 I2 2.632(4) .
Cu3 I1 2.649(5) .
Cu3 Cu4 2.711(5) .
Cu3 I4 2.755(4) .
Cu4 N3 2.03(3) .
Cu4 I4 2.638(4) .
Cu4 I3 2.672(5) .
Cu4 I2 2.720(4) .
P1 N2 1.687(18) .
P1 N1 1.739(19) .
P1 C9 1.75(3) .
P2 N2 1.671(18) .
P2 N1 1.719(19) .
P2 C17 1.76(3) .
P2 Cu2 2.217(6) 1_455
N1 C1 1.44(2) .
N2 C5 1.52(2) .
N3 C25 1.08(3) .
N4 C27 1.15(4) .
C1 C3 1.49(3) .
C1 C2 1.54(3) .
C1 C4 1.56(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.50(4) .
C5 C7 1.51(4) .
C5 C8 1.55(3) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.21(4) .
C10 C11 1.40(4) .
C11 C12 1.33(4) .
C11 C16 1.44(4) .
C12 C13 1.42(5) .
C12 H12 0.9500 .
C13 C14 1.40(5) .
C13 H13 0.9500 .
C14 C15 1.36(5) .
C14 H14 0.9500 .
C15 C16 1.36(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.19(4) .
C18 C19 1.46(4) .
C19 C20 1.32(5) .
C19 C24 1.37(4) .
C20 C21 1.49(6) .
C20 H20 0.9500 .
C21 C22 1.32(5) .
C21 H21 0.9500 .
C22 C23 1.34(4) .
C22 H22 0.9500 .
C23 C24 1.41(4) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.47(4) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.45(4) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
Cu5 P3 2.221(7) .
Cu5 I5 2.660(3) .
Cu5 I7 2.687(3) .
Cu5 I6 2.709(4) .
Cu5 Cu7 2.756(5) .
Cu5 Cu8 2.824(5) .
Cu6 P4 2.227(7) 1_655
Cu6 I8 2.658(4) .
Cu6 I7 2.698(4) .
Cu6 I5 2.709(4) .
Cu6 Cu8 2.731(5) .
Cu6 Cu7 2.855(5) .
Cu7 N7 1.99(2) .
Cu7 I8 2.629(4) .
Cu7 I5 2.683(5) .
Cu7 Cu8 2.688(5) .
Cu7 I6 2.735(4) .
Cu8 N8 2.01(2) .
Cu8 I6 2.622(4) .
Cu8 I7 2.657(4) .
Cu8 I8 2.774(4) .
P3 N5 1.704(17) .
P3 N6 1.736(19) .
P3 C37 1.75(3) .
P4 N6 1.707(19) .
P4 N5 1.736(18) .
P4 C45 1.79(3) .
P4 Cu6 2.227(7) 1_455
N5 C29 1.49(3) .
N6 C33 1.46(3) .
N7 C53 1.13(3) .
N8 C55 1.08(3) .
C29 C31 1.48(4) .
C29 C32 1.49(4) .
C29 C30 1.55(3) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C35 1.50(3) .
C33 C36 1.52(4) .
C33 C34 1.54(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.19(4) .
C38 C39 1.45(4) .
C39 C44 1.35(5) .
C39 C40 1.38(4) .
C40 C41 1.40(6) .
C40 H40 0.9500 .
C41 C42 1.31(5) .
C41 H41 0.9500 .
C42 C43 1.30(6) .
C42 H42 0.9500 .
C43 C44 1.52(6) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 C46 1.15(4) .
C46 C47A 1.49(3) .
C46 C47 1.51(3) .
C47 C48 1.3900 .
C47 C52 1.3900 .
C48 C49 1.3900 .
C48 H48 0.9500 .
C49 C50 1.3900 .
C49 H49 0.9500 .
C50 C51 1.3900 .
C50 H50 0.9500 .
C51 C52 1.3900 .
C51 H51 0.9500 .
C52 H52 0.9500 .
C47A C48A 1.3900 .
C47A C52A 1.3900 .
C48A C49A 1.3900 .
C48A H48A 0.9500 .
C49A C50A 1.3900 .
C49A H49A 0.9500 .
C50A C51A 1.3901 .
C50A H50A 0.9500 .
C51A C52A 1.3900 .
C51A H51A 0.9500 .
C52A H52A 0.9500 .
C53 C54 1.44(4) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.46(4) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
