#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:45:26 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244127 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/83/7238360.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_7238360
loop_
_publ_author_name
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Kopecky, Peter'
'Schönhofer, Ewald'
'Zampese, Jennifer A.'
_publ_section_title
;
 Restricting the geometrical relaxation in four-coordinate copper(i)
 complexes using face-to-face and edge-to-face π-interactions
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2742
_journal_paper_doi               10.1039/c0ce00880j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety
'2(C38 H32 Cu N2 P2), C4 H10 O, 2(F6 P), C H2 Cl2'
_chemical_formula_sum            'C81 H76 Cl2 Cu2 F12 N4 O P6'
_chemical_formula_weight         1733.28
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                112.413(10)
_cell_angle_beta                 98.097(11)
_cell_angle_gamma                91.294(11)
_cell_formula_units_Z            1
_cell_length_a                   11.5635(17)
_cell_length_b                   13.0399(17)
_cell_length_c                   15.119(2)
_cell_measurement_reflns_used    9507
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      62.20
_cell_measurement_theta_min      5.61
_cell_volume                     2079.3(5)
_computing_cell_refinement       'Stoe IPDS'
_computing_data_collection       'Stoe IPDS'
_computing_data_reduction        'Stoe IPDS'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '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  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41833
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_T_max  0.9774
_exptl_absorpt_correction_T_min  0.9072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing 1951)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         7716
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0632P)²+2.6222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1316
_reflns_number_gt                6781
_reflns_number_total             7716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00880j.txt
_cod_data_source_block           3tCu(phen)(dppe)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2079.2(5)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7238360
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.37582(3) 0.16884(3) 0.25566(2) 0.02000(12) Uani 1 1 d . . .
P1 P 0.53682(7) 0.23297(6) 0.36905(5) 0.01930(17) Uani 1 1 d . . .
P2 P 0.26052(7) 0.26005(7) 0.36247(6) 0.02223(18) Uani 1 1 d . . .
C1 C 0.4809(3) 0.3472(3) 0.4644(2) 0.0255(7) Uani 1 1 d . . .
H1A H 0.5365 0.3698 0.5259 0.031 Uiso 1 1 calc R . .
H1B H 0.4742 0.4123 0.4460 0.031 Uiso 1 1 calc R . .
C2 C 0.3608(3) 0.3101(3) 0.4786(2) 0.0279(7) Uani 1 1 d . . .
H2A H 0.3289 0.3733 0.5269 0.034 Uiso 1 1 calc R . .
H2B H 0.3687 0.2498 0.5032 0.034 Uiso 1 1 calc R . .
C3 C 0.6631(3) 0.2995(3) 0.3459(2) 0.0226(6) Uani 1 1 d . . .
C4 C 0.7721(3) 0.2560(3) 0.3456(2) 0.0283(7) Uani 1 1 d . . .
H4A H 0.7841 0.1948 0.3644 0.034 Uiso 1 1 calc R . .
C5 C 0.8631(3) 0.3020(4) 0.3180(3) 0.0385(8) Uani 1 1 d . . .
H5A H 0.9373 0.2723 0.3180 0.046 Uiso 1 1 calc R . .
C6 C 0.8463(3) 0.3907(4) 0.2906(3) 0.0406(9) Uani 1 1 d . . .
H6A H 0.9088 0.4215 0.2713 0.049 Uiso 1 1 calc R . .
C7 C 0.7391(4) 0.4348(3) 0.2910(3) 0.0371(8) Uani 1 1 d . . .
H7A H 0.7279 0.4964 0.2727 0.044 Uiso 1 1 calc R . .
C8 C 0.6475(3) 0.3892(3) 0.3182(2) 0.0297(7) Uani 1 1 d . . .
H8A H 0.5735 0.4194 0.3178 0.036 Uiso 1 1 calc R . .
C9 C 0.5988(3) 0.1449(3) 0.4289(2) 0.0224(6) Uani 1 1 d . . .
C10 C 0.5784(3) 0.0297(3) 0.3812(3) 0.0298(7) Uani 1 1 d . . .
H10A H 0.5316 -0.0010 0.3188 0.036 Uiso 1 1 calc R . .
C11 C 0.6256(4) -0.0406(3) 0.4235(3) 0.0391(9) Uani 1 1 d . . .
H11A H 0.6113 -0.1190 0.3904 0.047 Uiso 1 1 calc R . .
C12 C 0.6934(3) 0.0042(3) 0.5143(3) 0.0367(8) Uani 1 1 d . . .
H12A H 0.7263 -0.0435 0.5437 0.044 Uiso 1 1 calc R . .
C13 C 0.7136(3) 0.1182(3) 0.5626(3) 0.0328(8) Uani 1 1 d . . .
H13A H 0.7598 0.1485 0.6253 0.039 Uiso 1 1 calc R . .
C14 C 0.6672(3) 0.1886(3) 0.5204(2) 0.0276(7) Uani 1 1 d . . .
H14A H 0.6820 0.2669 0.5539 0.033 Uiso 1 1 calc R . .
C15 C 0.1399(3) 0.1836(3) 0.3825(3) 0.0307(7) Uani 1 1 d . . .
C16 C 0.0832(3) 0.0933(3) 0.3038(3) 0.0414(9) Uani 1 1 d . . .
H16A H 0.1072 0.0743 0.2424 0.050 Uiso 1 1 calc R . .
C17 C -0.0089(4) 0.0300(4) 0.3138(4) 0.0559(12) Uani 1 1 d . . .
H17A H -0.0473 -0.0320 0.2592 0.067 Uiso 1 1 calc R . .
C18 C -0.0444(4) 0.0569(4) 0.4026(4) 0.0587(14) Uani 1 1 d . . .
H18A H -0.1073 0.0139 0.4095 0.070 Uiso 1 1 calc R . .
C19 C 0.0109(4) 0.1451(4) 0.4799(4) 0.0508(12) Uani 1 1 d . . .
H19A H -0.0137 0.1634 0.5411 0.061 Uiso 1 1 calc R . .
C20 C 0.1033(4) 0.2098(4) 0.4715(3) 0.0404(9) Uani 1 1 d . . .
H20A H 0.1409 0.2715 0.5266 0.049 Uiso 1 1 calc R . .
C21 C 0.1995(3) 0.3852(3) 0.3555(2) 0.0248(6) Uani 1 1 d . . .
C22 C 0.1984(3) 0.4015(3) 0.2702(3) 0.0377(8) Uani 1 1 d . . .
H22A H 0.2284 0.3477 0.2179 0.045 Uiso 1 1 calc R . .
C23 C 0.1544(4) 0.4950(4) 0.2598(4) 0.0482(11) Uani 1 1 d . . .
H23A H 0.1541 0.5052 0.2008 0.058 Uiso 1 1 calc R . .
C24 C 0.1111(3) 0.5732(3) 0.3357(4) 0.0444(10) Uani 1 1 d . . .
H24A H 0.0813 0.6377 0.3292 0.053 Uiso 1 1 calc R . .
C25 C 0.1110(4) 0.5579(3) 0.4205(3) 0.0455(10) Uani 1 1 d . . .
H25A H 0.0805 0.6118 0.4724 0.055 Uiso 1 1 calc R . .
C26 C 0.1549(3) 0.4648(3) 0.4309(3) 0.0366(8) Uani 1 1 d . . .
H26A H 0.1547 0.4551 0.4900 0.044 Uiso 1 1 calc R . .
N1 N 0.3847(2) 0.1842(2) 0.12726(18) 0.0206(5) Uani 1 1 d . . .
N2 N 0.3333(2) 0.0055(2) 0.16688(19) 0.0235(5) Uani 1 1 d . . .
C27 C 0.4136(3) 0.2725(3) 0.1090(2) 0.0253(6) Uani 1 1 d . . .
H27A H 0.4293 0.3428 0.1616 0.030 Uiso 1 1 calc R . .
C28 C 0.4220(3) 0.2667(3) 0.0158(3) 0.0313(7) Uani 1 1 d . . .
H28A H 0.4437 0.3317 0.0058 0.038 Uiso 1 1 calc R . .
C29 C 0.3987(3) 0.1666(3) -0.0604(2) 0.0306(7) Uani 1 1 d . . .
H29A H 0.4032 0.1613 -0.1242 0.037 Uiso 1 1 calc R . .
C30 C 0.3682(3) 0.0714(3) -0.0443(2) 0.0249(6) Uani 1 1 d . . .
C31 C 0.3631(3) 0.0843(3) 0.0517(2) 0.0206(6) Uani 1 1 d . . .
C32 C 0.3342(3) -0.0110(3) 0.0724(2) 0.0212(6) Uani 1 1 d . . .
C33 C 0.3097(3) -0.1158(3) -0.0031(2) 0.0265(7) Uani 1 1 d . . .
C34 C 0.2818(3) -0.2067(3) 0.0208(3) 0.0348(8) Uani 1 1 d . . .
H34A H 0.2644 -0.2793 -0.0285 0.042 Uiso 1 1 calc R . .
C35 C 0.2800(3) -0.1895(3) 0.1157(3) 0.0364(8) Uani 1 1 d . . .
H35A H 0.2606 -0.2497 0.1330 0.044 Uiso 1 1 calc R . .
C36 C 0.3070(3) -0.0826(3) 0.1863(3) 0.0310(7) Uani 1 1 d . . .
H36A H 0.3067 -0.0720 0.2520 0.037 Uiso 1 1 calc R . .
C37 C 0.3434(3) -0.0374(3) -0.1194(2) 0.0337(8) Uani 1 1 d . . .
H37A H 0.3463 -0.0469 -0.1846 0.040 Uiso 1 1 calc R . .
C38 C 0.3159(3) -0.1267(3) -0.0997(2) 0.0329(8) Uani 1 1 d . . .
H38A H 0.3004 -0.1980 -0.1511 0.039 Uiso 1 1 calc R . .
P10 P 0.52778(10) 0.38477(8) 0.78363(7) 0.0397(2) Uani 1 1 d . . .
F10 F 0.6043(4) 0.2897(3) 0.7290(2) 0.0954(14) Uani 1 1 d . . .
F11 F 0.6385(3) 0.4421(3) 0.8627(2) 0.0748(9) Uani 1 1 d . . .
F12 F 0.4153(3) 0.3316(2) 0.7028(2) 0.0806(10) Uani 1 1 d . . .
F13 F 0.4902(3) 0.3172(3) 0.8433(2) 0.0781(10) Uani 1 1 d . . .
F14 F 0.4534(2) 0.4840(2) 0.83931(19) 0.0534(6) Uani 1 1 d . . .
F15 F 0.5631(3) 0.4542(2) 0.7222(2) 0.0638(8) Uani 1 1 d . . .
C100 C -0.2037(10) 0.6181(12) 0.1214(12) 0.087(4) Uani 0.50 1 d PU . .
H10B H -0.2190 0.6408 0.0656 0.104 Uiso 0.50 1 calc PR . .
H10C H -0.2804 0.5938 0.1321 0.104 Uiso 0.50 1 calc PR . .
Cl1 Cl -0.1492(5) 0.7267(4) 0.2160(6) 0.159(3) Uani 0.50 1 d P . .
Cl2 Cl -0.1199(3) 0.5028(4) 0.0887(4) 0.1145(14) Uani 0.50 1 d P . .
O200 O -0.0083(5) -0.0364(6) 0.0217(4) 0.0894(17) Uani 0.50 1 d P . 1
C200 C -0.0404(7) -0.1476(8) -0.0515(6) 0.100(2) Uani 0.50 1 d P A 1
H20B H -0.1116 -0.1497 -0.0972 0.120 Uiso 0.50 1 calc PR A 1
H20C H 0.0242 -0.1762 -0.0884 0.120 Uiso 0.50 1 calc PR A 1
C201 C -0.0613(11) -0.2083(12) 0.0051(10) 0.081(3) Uani 0.50 1 d P A 1
H20D H 0.0127 -0.2127 0.0435 0.121 Uiso 0.50 1 calc PR A 1
H20E H -0.0951 -0.2836 -0.0374 0.121 Uiso 0.50 1 calc PR A 1
H20F H -0.1162 -0.1709 0.0486 0.121 Uiso 0.50 1 calc PR A 1
C20' C -0.0083(5) -0.0364(6) 0.0217(4) 0.0894(17) Uani 0.50 1 d P . 2
H20G H -0.0711 -0.0129 0.0617 0.107 Uiso 0.50 1 calc PR . 2
H20H H 0.0646 -0.0362 0.0648 0.107 Uiso 0.50 1 calc PR . 2
C21' C -0.0404(7) -0.1476(8) -0.0515(6) 0.100(2) Uani 0.50 1 d P B 2
H21A H -0.1145 -0.1483 -0.0922 0.151 Uiso 0.50 1 calc PR B 2
H21B H -0.0496 -0.1998 -0.0199 0.151 Uiso 0.50 1 calc PR B 2
H21C H 0.0212 -0.1700 -0.0919 0.151 Uiso 0.50 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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 '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'
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
N2 Cu1 N1 82.45(10) .
N2 Cu1 P2 120.45(8) .
N1 Cu1 P2 125.60(8) .
N2 Cu1 P1 124.69(8) .
N1 Cu1 P1 115.95(8) .
P2 Cu1 P1 91.57(3) .
C9 P1 C3 104.80(14) .
C9 P1 C1 104.87(15) .
C3 P1 C1 103.76(15) .
C9 P1 Cu1 119.55(11) .
C3 P1 Cu1 120.28(10) .
C1 P1 Cu1 101.28(11) .
C15 P2 C21 104.96(15) .
C15 P2 C2 103.87(16) .
C21 P2 C2 104.61(15) .
C15 P2 Cu1 119.70(12) .
C21 P2 Cu1 118.69(11) .
C2 P2 Cu1 102.95(11) .
C2 C1 P1 110.2(2) .
C2 C1 H1A 109.6 .
P1 C1 H1A 109.6 .
C2 C1 H1B 109.6 .
P1 C1 H1B 109.6 .
H1A C1 H1B 108.1 .
C1 C2 P2 109.5(2) .
C1 C2 H2A 109.8 .
P2 C2 H2A 109.8 .
C1 C2 H2B 109.8 .
P2 C2 H2B 109.8 .
H2A C2 H2B 108.2 .
C4 C3 C8 119.0(3) .
C4 C3 P1 121.6(2) .
C8 C3 P1 119.1(2) .
C5 C4 C3 120.1(3) .
C5 C4 H4A 120.0 .
C3 C4 H4A 120.0 .
C6 C5 C4 120.3(4) .
C6 C5 H5A 119.8 .
C4 C5 H5A 119.8 .
C7 C6 C5 120.1(3) .
C7 C6 H6A 119.9 .
C5 C6 H6A 119.9 .
C6 C7 C8 120.0(3) .
C6 C7 H7A 120.0 .
C8 C7 H7A 120.0 .
C7 C8 C3 120.5(3) .
C7 C8 H8A 119.7 .
C3 C8 H8A 119.7 .
C14 C9 C10 118.8(3) .
C14 C9 P1 122.1(2) .
C10 C9 P1 119.0(2) .
C11 C10 C9 120.9(3) .
C11 C10 H10A 119.5 .
C9 C10 H10A 119.5 .
C12 C11 C10 119.4(3) .
C12 C11 H11A 120.3 .
C10 C11 H11A 120.3 .
C11 C12 C13 120.2(3) .
C11 C12 H12A 119.9 .
C13 C12 H12A 119.9 .
C12 C13 C14 120.5(3) .
C12 C13 H13A 119.8 .
C14 C13 H13A 119.8 .
C13 C14 C9 120.1(3) .
C13 C14 H14A 120.0 .
C9 C14 H14A 120.0 .
C16 C15 C20 118.7(4) .
C16 C15 P2 117.3(3) .
C20 C15 P2 124.0(3) .
C15 C16 C17 120.6(4) .
C15 C16 H16A 119.7 .
C17 C16 H16A 119.7 .
C18 C17 C16 120.1(5) .
C18 C17 H17A 120.0 .
C16 C17 H17A 120.0 .
C19 C18 C17 119.5(4) .
C19 C18 H18A 120.2 .
C17 C18 H18A 120.2 .
C18 C19 C20 121.3(4) .
C18 C19 H19A 119.3 .
C20 C19 H19A 119.3 .
C15 C20 C19 119.8(4) .
C15 C20 H20A 120.1 .
C19 C20 H20A 120.1 .
C22 C21 C26 118.4(3) .
C22 C21 P2 117.8(3) .
C26 C21 P2 123.8(3) .
C21 C22 C23 121.1(4) .
C21 C22 H22A 119.5 .
C23 C22 H22A 119.5 .
C24 C23 C22 119.5(4) .
C24 C23 H23A 120.2 .
C22 C23 H23A 120.2 .
C25 C24 C23 120.1(3) .
C25 C24 H24A 120.0 .
C23 C24 H24A 120.0 .
C24 C25 C26 120.4(4) .
C24 C25 H25A 119.8 .
C26 C25 H25A 119.8 .
C25 C26 C21 120.5(4) .
C25 C26 H26A 119.8 .
C21 C26 H26A 119.8 .
C27 N1 C31 117.9(3) .
C27 N1 Cu1 130.6(2) .
C31 N1 Cu1 111.4(2) .
C36 N2 C32 117.6(3) .
C36 N2 Cu1 131.2(2) .
C32 N2 Cu1 111.1(2) .
N1 C27 C28 123.1(3) .
N1 C27 H27A 118.5 .
C28 C27 H27A 118.5 .
C29 C28 C27 119.0(3) .
C29 C28 H28A 120.5 .
C27 C28 H28A 120.5 .
C28 C29 C30 119.8(3) .
C28 C29 H29A 120.1 .
C30 C29 H29A 120.1 .
C29 C30 C31 117.5(3) .
C29 C30 C37 123.8(3) .
C31 C30 C37 118.6(3) .
N1 C31 C30 122.7(3) .
N1 C31 C32 117.5(3) .
C30 C31 C32 119.8(3) .
N2 C32 C33 122.7(3) .
N2 C32 C31 117.5(3) .
C33 C32 C31 119.8(3) .
C32 C33 C34 117.8(3) .
C32 C33 C38 119.2(3) .
C34 C33 C38 123.0(3) .
C35 C34 C33 119.3(3) .
C35 C34 H34A 120.3 .
C33 C34 H34A 120.3 .
C34 C35 C36 119.1(3) .
C34 C35 H35A 120.4 .
C36 C35 H35A 120.4 .
N2 C36 C35 123.5(3) .
N2 C36 H36A 118.3 .
C35 C36 H36A 118.3 .
C38 C37 C30 121.4(3) .
C38 C37 H37A 119.3 .
C30 C37 H37A 119.3 .
C37 C38 C33 121.1(3) .
C37 C38 H38A 119.5 .
C33 C38 H38A 119.5 .
F11 P10 F10 89.1(2) .
F11 P10 F13 91.1(2) .
F10 P10 F13 91.06(18) .
F11 P10 F12 177.50(18) .
F10 P10 F12 92.3(2) .
F13 P10 F12 90.9(2) .
F11 P10 F14 89.70(17) .
F10 P10 F14 178.2(2) .
F13 P10 F14 90.30(17) .
F12 P10 F14 88.90(18) .
F11 P10 F15 89.86(18) .
F10 P10 F15 89.83(17) .
F13 P10 F15 178.69(19) .
F12 P10 F15 88.05(18) .
F14 P10 F15 88.84(15) .
Cl1 C100 Cl2 117.3(8) .
Cl1 C100 H10B 108.0 .
Cl2 C100 H10B 108.0 .
Cl1 C100 H10C 108.0 .
Cl2 C100 H10C 108.0 .
H10B C100 H10C 107.2 .
O200 O200 C200 109.9(7) 2
C201 C200 O200 101.9(8) .
C201 C200 H20B 111.4 .
O200 C200 H20B 111.4 .
C201 C200 H20C 111.4 .
O200 C200 H20C 111.4 .
H20B C200 H20C 109.2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 2.041(3) .
Cu1 N1 2.042(2) .
Cu1 P2 2.2390(9) .
Cu1 P1 2.2453(9) .
P1 C9 1.816(3) .
P1 C3 1.824(3) .
P1 C1 1.839(3) .
P2 C15 1.822(3) .
P2 C21 1.827(3) .
P2 C2 1.836(3) .
C1 C2 1.531(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.393(5) .
C3 C8 1.393(5) .
C4 C5 1.389(5) .
C4 H4A 0.9500 .
C5 C6 1.378(6) .
C5 H5A 0.9500 .
C6 C7 1.378(6) .
C6 H6A 0.9500 .
C7 C8 1.388(5) .
C7 H7A 0.9500 .
C8 H8A 0.9500 .
C9 C14 1.390(5) .
C9 C10 1.393(5) .
C10 C11 1.385(5) .
C10 H10A 0.9500 .
C11 C12 1.380(6) .
C11 H11A 0.9500 .
C12 C13 1.380(6) .
C12 H12A 0.9500 .
C13 C14 1.382(5) .
C13 H13A 0.9500 .
C14 H14A 0.9500 .
C15 C16 1.381(6) .
C15 C20 1.387(5) .
C16 C17 1.392(6) .
C16 H16A 0.9500 .
C17 C18 1.377(8) .
C17 H17A 0.9500 .
C18 C19 1.352(8) .
C18 H18A 0.9500 .
C19 C20 1.395(6) .
C19 H19A 0.9500 .
C20 H20A 0.9500 .
C21 C22 1.382(5) .
C21 C26 1.389(5) .
C22 C23 1.387(5) .
C22 H22A 0.9500 .
C23 C24 1.377(7) .
C23 H23A 0.9500 .
C24 C25 1.370(6) .
C24 H24A 0.9500 .
C25 C26 1.382(5) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
N1 C27 1.328(4) .
N1 C31 1.355(4) .
N2 C36 1.330(4) .
N2 C32 1.362(4) .
C27 C28 1.400(5) .
C27 H27A 0.9500 .
C28 C29 1.362(5) .
C28 H28A 0.9500 .
C29 C30 1.399(5) .
C29 H29A 0.9500 .
C30 C31 1.406(4) .
C30 C37 1.430(5) .
C31 C32 1.436(4) .
C32 C33 1.398(4) .
C33 C34 1.407(5) .
C33 C38 1.425(5) .
C34 C35 1.368(5) .
C34 H34A 0.9500 .
C35 C36 1.390(5) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 C38 1.350(5) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
P10 F11 1.572(3) .
P10 F10 1.573(3) .
P10 F13 1.574(3) .
P10 F12 1.591(3) .
P10 F14 1.596(3) .
P10 F15 1.606(3) .
C100 Cl1 1.615(17) .
C100 Cl2 1.755(13) .
C100 H10B 0.9900 .
C100 H10C 0.9900 .
O200 O200 1.367(12) 2
O200 C200 1.450(10) .
C200 C201 1.409(15) .
C200 H20B 0.9900 .
C200 H20C 0.9900 .
C201 H20D 0.9800 .
C201 H20E 0.9800 .
C201 H20F 0.9800 .
