#------------------------------------------------------------------------------
#$Date: 2019-11-26 05:38:18 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242731 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/28/4132839.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_4132839
loop_
_publ_author_name
'Evariste, Sloane'
'Khalil, Ali Moustafa'
'Moussa, Mehdi Elsayed'
'Chan, Alan Kwun-Wa'
'Hong, Eugene Yau-Hin'
'Wong, Hok-Lai'
'Le Guennic, Boris'
'Calvez, Guillaume'
'Costuas, Karine'
'Yam, Vivian Wing-Wah'
'Lescop, Christophe'
_publ_section_title
;
 Adaptive Coordination-Driven Supramolecular Syntheses toward New
 Polymetallic Cu(I) Luminescent Assemblies.
;
_journal_issue                   39
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12521
_journal_page_last               12526
_journal_paper_doi               10.1021/jacs.8b06901
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C52 H44 Cl0 Cu2 F0 N2 P4'
_chemical_formula_sum            'C52 H44 Cl0 Cu2 F0 N2 P4'
_chemical_formula_weight         947.85
_space_group_IT_number           170
_space_group_name_Hall           'P 65'
_space_group_name_H-M_alt        'P 65'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 65'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   25.734(2)
_cell_length_b                   25.734
_cell_length_c                   15.573(1)
_cell_measurement_reflns_used    4627
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.00
_cell_measurement_theta_min      2.25
_cell_volume                     8931.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       none
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_sigmaI/netI    0.1146
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27706
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         0.91
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.017(15)
_refine_ls_extinction_coef       0.0027(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         11644
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0757P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1463
_reflns_number_gt                7654
_reflns_number_total             11644
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8b06901_si_004.cif
_cod_data_source_block           sq
_cod_original_cell_volume        8931.4(10)
_cod_original_sg_symbol_H-M      P65
_cod_database_code               4132839
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'x-y, x, z+5/6'
'y, -x+y, z+1/6'
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 0.07066(3) 0.33396(3) 0.82530(4) 0.02817(18) Uani 1 1 d . . .
Cu2 Cu -0.14826(3) 0.20716(3) 0.73492(4) 0.02825(18) Uani 1 1 d . . .
P1 P 0.07501(7) 0.39175(7) 0.93760(8) 0.0280(3) Uani 1 1 d . . .
P2 P 0.18912(7) 0.39881(8) 1.01418(9) 0.0346(4) Uani 1 1 d . . .
P11 P 0.12445(7) 0.39152(7) 0.71302(9) 0.0299(4) Uani 1 1 d . A .
P12 P 0.24690(7) 0.41633(7) 0.78573(9) 0.0275(3) Uani 1 1 d . . .
C100 C -0.0636(3) 0.2570(2) 0.7700(3) 0.0320(13) Uani 0.50 1 d P A 1
N100 N -0.0140(2) 0.2845(2) 0.7908(3) 0.0295(12) Uani 0.50 1 d P A 1
N101 N -0.0636(3) 0.2570(2) 0.7700(3) 0.0320(13) Uani 0.50 1 d P A 2
C101 C -0.0140(2) 0.2845(2) 0.7908(3) 0.0295(12) Uani 0.50 1 d P A 2
C200 C 0.0975(6) 0.2713(6) 0.8558(5) 0.107(5) Uani 0.50 1 d P A 1
N200 N 0.1251(4) 0.2584(6) 0.8701(6) 0.119(5) Uani 0.50 1 d P A 1
N201 N 0.0975(6) 0.2713(6) 0.8558(5) 0.107(5) Uani 0.50 1 d P A 2
C201 C 0.1251(4) 0.2584(6) 0.8701(6) 0.119(5) Uani 0.50 1 d P A 2
C1 C 0.0542(3) 0.4480(3) 0.9079(3) 0.0287(13) Uani 1 1 d . . .
C2 C 0.0863(4) 0.5083(3) 0.9326(6) 0.074(3) Uani 1 1 d . A .
H2 H 0.1200 0.5210 0.9672 0.089 Uiso 1 1 calc R . .
C3 C 0.0705(4) 0.5484(4) 0.9086(7) 0.080(3) Uani 1 1 d . . .
H3 H 0.0936 0.5881 0.9263 0.096 Uiso 1 1 calc R A .
C4 C 0.0224(5) 0.5327(5) 0.8598(5) 0.078(3) Uani 1 1 d . A .
H4 H 0.0113 0.5608 0.8443 0.094 Uiso 1 1 calc R . .
C5 C -0.0111(7) 0.4732(6) 0.8325(9) 0.136(5) Uani 1 1 d . . .
H5 H -0.0461 0.4599 0.8007 0.163 Uiso 1 1 calc R A .
C6 C 0.0101(4) 0.4335(4) 0.8549(6) 0.078(3) Uani 1 1 d . A .
H6 H -0.0085 0.3954 0.8304 0.094 Uiso 1 1 calc R . .
C7 C 0.0217(3) 0.3514(3) 1.0241(3) 0.0295(13) Uani 1 1 d . . .
C8 C 0.0110(3) 0.3822(3) 1.0907(3) 0.0431(17) Uani 1 1 d . A .
H8 H 0.0321 0.4239 1.0919 0.052 Uiso 1 1 calc R . .
C9 C -0.0298(3) 0.3512(3) 1.1529(4) 0.0518(19) Uani 1 1 d . . .
H9 H -0.0366 0.3718 1.1967 0.062 Uiso 1 1 calc R A .
C10 C -0.0615(4) 0.2891(4) 1.1513(4) 0.054(2) Uani 1 1 d . A .
H10 H -0.0897 0.2682 1.1939 0.065 Uiso 1 1 calc R . .
C11 C -0.0519(3) 0.2577(3) 1.0873(4) 0.0497(19) Uani 1 1 d . . .
H11 H -0.0734 0.2160 1.0865 0.060 Uiso 1 1 calc R A .
C12 C -0.0096(3) 0.2894(3) 1.0243(3) 0.0403(16) Uani 1 1 d . A .
H12 H -0.0022 0.2687 0.9816 0.048 Uiso 1 1 calc R . .
C13 C 0.1478(3) 0.4389(3) 0.9909(4) 0.0361(14) Uani 1 1 d . . .
H13A H 0.1410 0.4540 1.0443 0.043 Uiso 1 1 calc R A .
H13B H 0.1724 0.4731 0.9545 0.043 Uiso 1 1 calc R . .
C14 C 0.1484(3) 0.3498(3) 1.1043(4) 0.0402(16) Uani 1 1 d . . .
C15 C 0.1371(3) 0.3736(4) 1.1797(4) 0.0509(19) Uani 1 1 d . A .
H15 H 0.1517 0.4147 1.1843 0.061 Uiso 1 1 calc R . .
C16 C 0.1052(4) 0.3367(5) 1.2448(5) 0.076(3) Uani 1 1 d . . .
H16 H 0.0982 0.3527 1.2941 0.091 Uiso 1 1 calc R A .
C17 C 0.0827(4) 0.2756(5) 1.2397(5) 0.073(3) Uani 1 1 d . A .
H17 H 0.0601 0.2508 1.2847 0.087 Uiso 1 1 calc R . .
C18 C 0.0939(4) 0.2502(4) 1.1652(5) 0.084(3) Uani 1 1 d . . .
H18 H 0.0806 0.2094 1.1607 0.101 Uiso 1 1 calc R A .
C19 C 0.1258(3) 0.2903(3) 1.1001(4) 0.0495(19) Uani 1 1 d . A .
H19 H 0.1321 0.2748 1.0498 0.059 Uiso 1 1 calc R . .
C20 C 0.2573(3) 0.4579(3) 1.0653(4) 0.0391(16) Uani 1 1 d . . .
C21 C 0.2769(5) 0.5179(4) 1.0570(8) 0.109(4) Uani 1 1 d . A .
H21 H 0.2530 0.5299 1.0280 0.130 Uiso 1 1 calc R . .
C22 C 0.3311(5) 0.5611(4) 1.0905(8) 0.120(5) Uani 1 1 d . . .
H22 H 0.3438 0.6016 1.0839 0.144 Uiso 1 1 calc R A .
C23 C 0.3671(3) 0.5426(4) 1.1355(5) 0.056(2) Uani 1 1 d . A .
H23 H 0.4033 0.5705 1.1606 0.067 Uiso 1 1 calc R . .
C24 C 0.3474(3) 0.4839(3) 1.1404(5) 0.054(2) Uani 1 1 d . . .
H24 H 0.3707 0.4713 1.1695 0.065 Uiso 1 1 calc R A .
C25 C 0.2943(3) 0.4411(3) 1.1046(5) 0.0531(19) Uani 1 1 d . A .
H25 H 0.2835 0.4008 1.1070 0.064 Uiso 1 1 calc R . .
C501 C 0.0954(2) 0.43757(19) 0.6664(3) 0.0452(17) Uani 1 1 d G . .
C102 C 0.12107(19) 0.49904(19) 0.6789(3) 0.0507(18) Uani 1 1 d G A .
H102 H 0.1558 0.5196 0.7117 0.061 Uiso 1 1 calc R . .
C103 C 0.0949(2) 0.52977(17) 0.6425(3) 0.062(2) Uani 1 1 d G A .
H103 H 0.1121 0.5709 0.6509 0.074 Uiso 1 1 calc R . .
C104 C 0.0431(3) 0.4990(3) 0.5935(4) 0.076(3) Uani 1 1 d G A .
H104 H 0.0256 0.5196 0.5692 0.091 Uiso 1 1 calc R . .
C105 C 0.0174(3) 0.4376(3) 0.5810(5) 0.137(5) Uani 1 1 d G A .
H105 H -0.0173 0.4170 0.5482 0.164 Uiso 1 1 calc R . .
C106 C 0.0435(3) 0.40682(18) 0.6174(4) 0.110(4) Uani 1 1 d G A .
H106 H 0.0264 0.3657 0.6090 0.132 Uiso 1 1 calc R . .
C107 C 0.1296(3) 0.3520(3) 0.6173(4) 0.0376(15) Uani 1 1 d . . .
C108 C 0.1513(3) 0.3824(4) 0.5394(4) 0.062(2) Uani 1 1 d . A .
H108 H 0.1630 0.4229 0.5361 0.074 Uiso 1 1 calc R . .
C109 C 0.1558(4) 0.3541(5) 0.4686(4) 0.067(2) Uani 1 1 d . . .
H109 H 0.1687 0.3743 0.4165 0.081 Uiso 1 1 calc R A .
C110 C 0.1405(4) 0.2943(5) 0.4760(4) 0.075(3) Uani 1 1 d . A .
H110 H 0.1452 0.2748 0.4290 0.090 Uiso 1 1 calc R . .
C111 C 0.1187(4) 0.2639(4) 0.5507(5) 0.064(2) Uani 1 1 d . . .
H111 H 0.1082 0.2238 0.5537 0.077 Uiso 1 1 calc R A .
C112 C 0.1119(3) 0.2920(3) 0.6231(4) 0.0420(17) Uani 1 1 d . A .
H112 H 0.0958 0.2708 0.6737 0.050 Uiso 1 1 calc R . .
C113 C 0.2034(3) 0.4477(3) 0.7356(4) 0.0328(14) Uani 1 1 d . A .
H11A H 0.2043 0.4781 0.7734 0.039 Uiso 1 1 calc R . .
H11B H 0.2227 0.4672 0.6822 0.039 Uiso 1 1 calc R . .
C114 C 0.2663(3) 0.3826(3) 0.6954(3) 0.0316(14) Uani 1 1 d . B .
C115 C 0.2876(3) 0.4124(3) 0.6191(3) 0.0412(16) Uani 1 1 d . . .
H115 H 0.2925 0.4505 0.6119 0.049 Uiso 1 1 calc R B .
C116 C 0.3019(3) 0.3856(3) 0.5527(4) 0.0526(19) Uani 1 1 d . B .
H116 H 0.3156 0.4056 0.5006 0.063 Uiso 1 1 calc R . .
C117 C 0.2958(3) 0.3299(4) 0.5634(4) 0.0516(19) Uani 1 1 d . . .
H117 H 0.3067 0.3125 0.5197 0.062 Uiso 1 1 calc R B .
C118 C 0.2734(4) 0.3000(4) 0.6404(4) 0.054(2) Uani 1 1 d . B .
H118 H 0.2677 0.2616 0.6476 0.065 Uiso 1 1 calc R . .
C119 C 0.2596(3) 0.3268(3) 0.7063(4) 0.0452(17) Uani 1 1 d . . .
H119 H 0.2457 0.3068 0.7584 0.054 Uiso 1 1 calc R B .
C120 C 0.3178(3) 0.4877(3) 0.8075(5) 0.032(6) Uiso 0.623(8) 1 d PG B 1
C121 C 0.3466(3) 0.4925(3) 0.8850(4) 0.047(3) Uiso 0.623(8) 1 d PG B 1
H121 H 0.3316 0.4599 0.9222 0.056 Uiso 0.623(8) 1 calc PR B 1
C122 C 0.3977(3) 0.5460(4) 0.9070(4) 0.065(4) Uiso 0.623(8) 1 d PG B 1
H122 H 0.4169 0.5492 0.9589 0.078 Uiso 0.623(8) 1 calc PR B 1
C123 C 0.4200(3) 0.5947(3) 0.8514(5) 0.053(3) Uiso 0.623(8) 1 d PG B 1
H123 H 0.4542 0.6305 0.8661 0.063 Uiso 0.623(8) 1 calc PR B 1
C124 C 0.3912(4) 0.5899(3) 0.7738(5) 0.112(6) Uiso 0.623(8) 1 d PG B 1
H124 H 0.4062 0.6225 0.7366 0.134 Uiso 0.623(8) 1 calc PR B 1
C125 C 0.3401(4) 0.5364(4) 0.7519(4) 0.063(4) Uiso 0.623(8) 1 d PG B 1
H125 H 0.3208 0.5332 0.7000 0.075 Uiso 0.623(8) 1 calc PR B 1
C220 C 0.3223(5) 0.4835(6) 0.8052(8) 0.029(9) Uiso 0.377(8) 1 d PG B 2
C221 C 0.3705(6) 0.4747(5) 0.8211(8) 0.054(5) Uiso 0.377(8) 1 d PG B 2
H221 H 0.3646 0.4361 0.8238 0.064 Uiso 0.377(8) 1 calc PR B 2
C222 C 0.4276(5) 0.5238(6) 0.8331(9) 0.070(6) Uiso 0.377(8) 1 d PG B 2
H222 H 0.4598 0.5180 0.8438 0.084 Uiso 0.377(8) 1 calc PR B 2
C223 C 0.4364(5) 0.5817(5) 0.8291(9) 0.062(6) Uiso 0.377(8) 1 d PG B 2
H223 H 0.4746 0.6145 0.8370 0.074 Uiso 0.377(8) 1 calc PR B 2
C224 C 0.3882(6) 0.5904(5) 0.8131(9) 0.053(5) Uiso 0.377(8) 1 d PG B 2
H224 H 0.3941 0.6291 0.8104 0.064 Uiso 0.377(8) 1 calc PR B 2
C225 C 0.3311(5) 0.5413(7) 0.8012(9) 0.076(7) Uiso 0.377(8) 1 d PG B 2
H225 H 0.2988 0.5472 0.7905 0.092 Uiso 0.377(8) 1 calc PR B 2
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'
F F 0.0171 0.0103 '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
N100 Cu1 C200 104.3(4) . .
N100 Cu1 P1 108.11(16) . .
C200 Cu1 P1 113.8(2) . .
N100 Cu1 P11 109.21(15) . .
C200 Cu1 P11 110.4(3) . .
P1 Cu1 P11 110.75(7) . .
C100 Cu2 P2 110.63(15) . 5_554
C100 Cu2 P12 111.28(15) . 5_554
P2 Cu2 P12 114.23(7) 5_554 5_554
C100 Cu2 C201 91.0(4) . 5_554
P2 Cu2 C201 112.7(3) 5_554 5_554
P12 Cu2 C201 114.7(2) 5_554 5_554
C100 Cu2 N200 91.0(4) . 5_554
P2 Cu2 N200 112.7(3) 5_554 5_554
P12 Cu2 N200 114.7(2) 5_554 5_554
C201 Cu2 N200 0.00(13) 5_554 5_554
C7 P1 C1 101.6(3) . .
C7 P1 C13 105.6(3) . .
C1 P1 C13 101.3(3) . .
C7 P1 Cu1 114.8(2) . .
C1 P1 Cu1 112.67(18) . .
C13 P1 Cu1 118.75(19) . .
C14 P2 C20 102.7(3) . .
C14 P2 C13 104.1(3) . .
C20 P2 C13 101.6(3) . .
C14 P2 Cu2 116.5(2) . 6
C20 P2 Cu2 113.6(2) . 6
C13 P2 Cu2 116.29(19) . 6
C107 P11 C113 103.4(3) . .
C107 P11 C501 101.6(3) . .
C113 P11 C501 102.4(2) . .
C107 P11 Cu1 116.9(2) . .
C113 P11 Cu1 116.04(19) . .
C501 P11 Cu1 114.50(18) . .
C114 P12 C113 104.4(3) . .
C114 P12 C120 103.9(3) . .
C113 P12 C120 98.9(3) . .
C114 P12 C220 99.2(5) . .
C113 P12 C220 103.9(5) . .
C120 P12 C220 6.1(6) . .
C114 P12 Cu2 114.5(2) . 6
C113 P12 Cu2 118.35(19) . 6
C120 P12 Cu2 114.7(2) . 6
C220 P12 Cu2 114.3(4) . 6
N100 C100 Cu2 177.9(5) . .
C100 N100 Cu1 178.1(5) . .
N200 C200 Cu1 155.8(17) . .
C200 N200 Cu2 96.3(16) . 6
C6 C1 C2 116.2(7) . .
C6 C1 P1 119.4(5) . .
C2 C1 P1 124.1(5) . .
C3 C2 C1 122.6(8) . .
C4 C3 C2 121.4(9) . .
C3 C4 C5 118.4(9) . .
C4 C5 C6 117.9(11) . .
C1 C6 C5 122.9(9) . .
C12 C7 C8 118.8(5) . .
C12 C7 P1 119.8(4) . .
C8 C7 P1 121.5(5) . .
C9 C8 C7 120.3(7) . .
C8 C9 C10 120.1(6) . .
C11 C10 C9 120.9(7) . .
C10 C11 C12 118.9(7) . .
C7 C12 C11 121.0(6) . .
P1 C13 P2 113.5(3) . .
C19 C14 C15 117.9(6) . .
C19 C14 P2 121.4(5) . .
C15 C14 P2 120.6(6) . .
C16 C15 C14 120.0(8) . .
C15 C16 C17 121.3(8) . .
C16 C17 C18 120.1(7) . .
C19 C18 C17 115.7(8) . .
C14 C19 C18 124.9(7) . .
C21 C20 C25 118.4(7) . .
C21 C20 P2 123.7(5) . .
C25 C20 P2 117.4(5) . .
C20 C21 C22 121.7(8) . .
C21 C22 C23 118.9(8) . .
C24 C23 C22 117.7(7) . .
C23 C24 C25 123.3(7) . .
C20 C25 C24 119.8(7) . .
C102 C501 C106 120.0 . .
C102 C501 P11 124.3(3) . .
C106 C501 P11 115.7(3) . .
C501 C102 C103 120.0 . .
C104 C103 C102 120.0 . .
C103 C104 C105 120.0 . .
C106 C105 C104 120.0 . .
C105 C106 C501 120.0 . .
C112 C107 C108 120.0(6) . .
C112 C107 P11 119.4(4) . .
C108 C107 P11 120.7(6) . .
C109 C108 C107 121.4(8) . .
C108 C109 C110 118.3(7) . .
C111 C110 C109 121.1(7) . .
C110 C111 C112 121.1(8) . .
C107 C112 C111 118.1(6) . .
P11 C113 P12 114.1(3) . .
C119 C114 C115 120.1(6) . .
C119 C114 P12 118.4(4) . .
C115 C114 P12 121.5(5) . .
C114 C115 C116 119.8(6) . .
C117 C116 C115 120.5(6) . .
C116 C117 C118 118.9(6) . .
C119 C118 C117 120.5(7) . .
C118 C119 C114 120.1(6) . .
C121 C120 C125 120.0 . .
C121 C120 P12 117.5(4) . .
C125 C120 P12 122.4(4) . .
C122 C121 C120 120.0 . .
C121 C122 C123 120.0 . .
C124 C123 C122 120.0 . .
C123 C124 C125 120.0 . .
C124 C125 C120 120.0 . .
C221 C220 C225 120.0 . .
C221 C220 P12 118.5(8) . .
C225 C220 P12 121.4(8) . .
C222 C221 C220 120.0 . .
C221 C222 C223 120.0 . .
C224 C223 C222 120.0 . .
C223 C224 C225 120.0 . .
C224 C225 C220 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N100 1.972(6) .
Cu1 C200 2.103(8) .
Cu1 P1 2.2618(16) .
Cu1 P11 2.2621(16) .
Cu2 C100 1.974(6) .
Cu2 P2 2.2484(16) 5_554
Cu2 P12 2.2705(16) 5_554
Cu2 C201 2.379(12) 5_554
Cu2 N200 2.379(12) 5_554
P1 C7 1.830(6) .
P1 C1 1.837(6) .
P1 C13 1.843(6) .
P2 C14 1.827(6) .
P2 C20 1.832(6) .
P2 C13 1.851(6) .
P2 Cu2 2.2485(16) 6
P11 C107 1.846(6) .
P11 C113 1.845(6) .
P11 C501 1.838(4) .
P12 C114 1.849(6) .
P12 C113 1.848(6) .
P12 C120 1.861(6) .
P12 C220 1.868(10) .
P12 Cu2 2.2705(16) 6
C100 N100 1.153(7) .
C200 N200 0.946(12) .
N200 Cu2 2.379(12) 6
C1 C6 1.299(10) .
C1 C2 1.398(9) .
C2 C3 1.340(11) .
C3 C4 1.331(12) .
C4 C5 1.397(15) .
C5 C6 1.420(13) .
C7 C12 1.380(9) .
C7 C8 1.414(8) .
C8 C9 1.357(9) .
C9 C10 1.386(10) .
C10 C11 1.381(9) .
C11 C12 1.387(9) .
C14 C19 1.341(10) .
C14 C15 1.419(9) .
C15 C16 1.352(10) .
C16 C17 1.379(13) .
C17 C18 1.430(12) .
C18 C19 1.384(10) .
C20 C21 1.370(11) .
C20 C25 1.372(9) .
C21 C22 1.379(12) .
C22 C23 1.420(10) .
C23 C24 1.335(10) .
C24 C25 1.372(9) .
C501 C102 1.3900 .
C501 C106 1.3900 .
C102 C103 1.3900 .
C103 C104 1.3900 .
C104 C105 1.3900 .
C105 C106 1.3900 .
C107 C112 1.376(9) .
C107 C108 1.401(9) .
C108 C109 1.356(10) .
C109 C110 1.391(13) .
C110 C111 1.355(11) .
C111 C112 1.397(9) .
C114 C119 1.369(9) .
C114 C115 1.371(8) .
C115 C116 1.391(9) .
C116 C117 1.374(10) .
C117 C118 1.385(10) .
C118 C119 1.379(9) .
C120 C121 1.3900 .
C120 C125 1.3900 .
C121 C122 1.3900 .
C122 C123 1.3900 .
C123 C124 1.3900 .
C124 C125 1.3900 .
C220 C221 1.3900 .
C220 C225 1.3900 .
C221 C222 1.3900 .
C222 C223 1.3900 .
C223 C224 1.3900 .
C224 C225 1.3900 .
