#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:45:26 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244127 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/83/7238359.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_7238359
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(C36 H32 Cu N2 P2), C4 H10 O, 2(F6 P), 1.5(C H2 Cl2)'
_chemical_formula_sum            'C77.5 H77 Cl3 Cu2 F12 N4 O P6'
_chemical_formula_weight         1727.70
_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                115.99(3)
_cell_angle_beta                 97.55(3)
_cell_angle_gamma                90.93(3)
_cell_formula_units_Z            1
_cell_length_a                   11.611(2)
_cell_length_b                   13.045(3)
_cell_length_c                   14.699(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1977.1(9)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            53834
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    0.836
_exptl_absorpt_correction_T_max  0.8849
_exptl_absorpt_correction_T_min  0.7310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing 1951)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             885
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         12473
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0618P)²+1.0665P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                11793
_reflns_number_total             12473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00880j.txt
_cod_data_source_block           esc08
_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_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C77.50 H77 Cl3 Cu2 F12 N4 O P6'
_cod_database_code               7238359
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 0.879428(15) 0.648228(14) 0.238875(12) 0.02153(5) Uani 1 1 d . . .
P1 P 1.04132(3) 0.71933(3) 0.35630(3) 0.02108(7) Uani 1 1 d . . .
P2 P 0.76718(3) 0.75111(3) 0.35485(3) 0.02291(8) Uani 1 1 d . . .
C1 C 1.10183(12) 0.63737(12) 0.42159(11) 0.0233(2) Uani 1 1 d . . .
C2 C 1.07778(16) 0.51950(14) 0.37445(14) 0.0320(3) Uani 1 1 d . . .
H2A H 1.0290 0.4836 0.3099 0.038 Uiso 1 1 calc R . .
C3 C 1.1245(2) 0.45312(16) 0.42082(17) 0.0415(4) Uani 1 1 d . . .
H3A H 1.1083 0.3723 0.3877 0.050 Uiso 1 1 calc R . .
C4 C 1.19418(18) 0.50549(17) 0.51497(16) 0.0390(4) Uani 1 1 d . . .
H4A H 1.2263 0.4606 0.5468 0.047 Uiso 1 1 calc R . .
C5 C 1.21768(17) 0.62278(17) 0.56331(14) 0.0357(3) Uani 1 1 d . . .
H5A H 1.2654 0.6583 0.6285 0.043 Uiso 1 1 calc R . .
C6 C 1.17187(15) 0.68931(14) 0.51721(13) 0.0302(3) Uani 1 1 d . . .
H6A H 1.1882 0.7701 0.5508 0.036 Uiso 1 1 calc R . .
C7 C 1.16826(13) 0.77887(13) 0.32973(11) 0.0246(2) Uani 1 1 d . . .
C8 C 1.27292(14) 0.72664(16) 0.32198(13) 0.0313(3) Uani 1 1 d . . .
H8A H 1.2804 0.6620 0.3354 0.038 Uiso 1 1 calc R . .
C9 C 1.36630(15) 0.7693(2) 0.29457(15) 0.0396(4) Uani 1 1 d . . .
H9A H 1.4371 0.7329 0.2888 0.048 Uiso 1 1 calc R . .
C10 C 1.35702(17) 0.86391(19) 0.27573(15) 0.0409(4) Uani 1 1 d . . .
H10A H 1.4215 0.8932 0.2580 0.049 Uiso 1 1 calc R . .
C11 C 1.25347(17) 0.91588(16) 0.28279(14) 0.0370(4) Uani 1 1 d . . .
H11A H 1.2469 0.9809 0.2698 0.044 Uiso 1 1 calc R . .
C12 C 1.15891(15) 0.87332(14) 0.30884(13) 0.0302(3) Uani 1 1 d . . .
H12A H 1.0877 0.9087 0.3124 0.036 Uiso 1 1 calc R . .
C13 C 0.98838(14) 0.84414(12) 0.45725(11) 0.0266(3) Uani 1 1 d . . .
H13A H 1.0449 0.8722 0.5214 0.032 Uiso 1 1 calc R . .
H13B H 0.9809 0.9066 0.4363 0.032 Uiso 1 1 calc R . .
C14 C 0.86982(14) 0.81048(14) 0.47564(11) 0.0275(3) Uani 1 1 d . . .
H14A H 0.8393 0.8785 0.5273 0.033 Uiso 1 1 calc R . .
H14B H 0.8786 0.7528 0.5023 0.033 Uiso 1 1 calc R . .
C15 C 0.70424(13) 0.87680(13) 0.35093(12) 0.0259(3) Uani 1 1 d . . .
C16 C 0.65580(16) 0.95819(15) 0.43220(13) 0.0338(3) Uani 1 1 d . . .
H16A H 0.6546 0.9490 0.4927 0.041 Uiso 1 1 calc R . .
C17 C 0.60952(17) 1.05216(15) 0.42504(17) 0.0410(4) Uani 1 1 d . . .
H17A H 0.5766 1.1069 0.4805 0.049 Uiso 1 1 calc R . .
C18 C 0.61120(17) 1.06641(17) 0.33735(19) 0.0434(4) Uani 1 1 d . . .
H18A H 0.5792 1.1308 0.3327 0.052 Uiso 1 1 calc R . .
C19 C 0.65919(19) 0.9874(2) 0.2568(2) 0.0470(5) Uani 1 1 d . . .
H19A H 0.6610 0.9974 0.1967 0.056 Uiso 1 1 calc R . .
C20 C 0.70513(17) 0.89245(18) 0.26391(16) 0.0386(4) Uani 1 1 d . . .
H20A H 0.7376 0.8377 0.2080 0.046 Uiso 1 1 calc R . .
C21 C 0.64964(14) 0.67727(14) 0.37957(13) 0.0279(3) Uani 1 1 d . . .
C22 C 0.61408(17) 0.71335(17) 0.47514(15) 0.0365(4) Uani 1 1 d . . .
H22A H 0.6519 0.7799 0.5322 0.044 Uiso 1 1 calc R . .
C23 C 0.52281(19) 0.65146(19) 0.48670(18) 0.0439(5) Uani 1 1 d . . .
H23A H 0.4986 0.6764 0.5518 0.053 Uiso 1 1 calc R . .
C24 C 0.46754(19) 0.5548(2) 0.4050(2) 0.0471(5) Uani 1 1 d . . .
H24A H 0.4048 0.5138 0.4136 0.056 Uiso 1 1 calc R . .
C25 C 0.50319(19) 0.5174(2) 0.3105(2) 0.0473(5) Uani 1 1 d . . .
H25A H 0.4659 0.4500 0.2541 0.057 Uiso 1 1 calc R . .
C26 C 0.59432(16) 0.57888(17) 0.29793(15) 0.0361(3) Uani 1 1 d . . .
H26A H 0.6186 0.5530 0.2327 0.043 Uiso 1 1 calc R . .
N1 N 0.88466(11) 0.65287(11) 0.10309(9) 0.0237(2) Uani 1 1 d . . .
N2 N 0.83646(11) 0.47966(11) 0.14278(10) 0.0248(2) Uani 1 1 d . . .
C27 C 0.91209(15) 0.74454(14) 0.08903(12) 0.0291(3) Uani 1 1 d . . .
H27A H 0.9324 0.8160 0.1477 0.035 Uiso 1 1 calc R . .
C28 C 0.91237(18) 0.74036(16) -0.00663(14) 0.0359(3) Uani 1 1 d . . .
H28A H 0.9325 0.8071 -0.0137 0.043 Uiso 1 1 calc R . .
C29 C 0.8825(2) 0.63651(18) -0.09123(14) 0.0419(4) Uani 1 1 d . . .
H29A H 0.8803 0.6308 -0.1581 0.050 Uiso 1 1 calc R . .
C30 C 0.85573(19) 0.54038(16) -0.07810(13) 0.0372(4) Uani 1 1 d . . .
H30A H 0.8361 0.4680 -0.1358 0.045 Uiso 1 1 calc R . .
C31 C 0.85788(13) 0.55103(13) 0.02054(11) 0.0252(3) Uani 1 1 d . . .
C32 C 0.83163(14) 0.45380(13) 0.04278(11) 0.0264(3) Uani 1 1 d . . .
C33 C 0.8060(2) 0.34228(15) -0.03340(14) 0.0395(4) Uani 1 1 d . . .
H33A H 0.8036 0.3256 -0.1034 0.047 Uiso 1 1 calc R . .
C34 C 0.7841(2) 0.25564(16) -0.00610(16) 0.0475(5) Uani 1 1 d . . .
H34A H 0.7667 0.1788 -0.0572 0.057 Uiso 1 1 calc R . .
C35 C 0.7879(2) 0.28207(16) 0.09630(16) 0.0412(4) Uani 1 1 d . . .
H35A H 0.7728 0.2241 0.1168 0.049 Uiso 1 1 calc R . .
C36 C 0.81419(16) 0.39467(14) 0.16783(13) 0.0318(3) Uani 1 1 d . . .
H36A H 0.8167 0.4130 0.2382 0.038 Uiso 1 1 calc R . .
P10 P 1.02131(5) 0.90848(4) 0.79213(4) 0.04004(12) Uani 1 1 d . . .
F10 F 1.05624(16) 0.97404(13) 0.72821(12) 0.0587(4) Uani 1 1 d . . .
F11 F 1.13114(15) 0.97049(17) 0.87631(13) 0.0688(4) Uani 1 1 d . . .
F12 F 0.94569(13) 1.01152(11) 0.85201(11) 0.0494(3) Uani 1 1 d . . .
F13 F 1.0959(2) 0.80707(15) 0.73238(15) 0.0870(7) Uani 1 1 d . . .
F14 F 0.98228(18) 0.84244(15) 0.85280(14) 0.0687(5) Uani 1 1 d . . .
F15 F 0.90865(19) 0.84903(14) 0.70670(12) 0.0731(5) Uani 1 1 d . . .
C100 C 0.2907(3) 0.1144(3) 0.1163(3) 0.0539(7) Uani 0.75 1 d P . .
H10B H 0.2187 0.0769 0.1215 0.065 Uiso 0.75 1 calc PR . .
H10C H 0.2717 0.1390 0.0616 0.065 Uiso 0.75 1 calc PR . .
Cl1 Cl 0.39461(10) 0.01713(12) 0.08335(15) 0.0977(5) Uani 0.75 1 d P . .
Cl2 Cl 0.33755(14) 0.23530(12) 0.23316(13) 0.0998(4) Uani 0.75 1 d P . .
O200 O 0.4942(3) 0.4667(4) 0.0234(2) 0.0954(11) Uani 0.50 1 d P . 1
C201 C 0.4942(3) 0.4667(4) 0.0234(2) 0.0954(11) Uani 0.50 1 d P . 2
H20B H 0.4374 0.4978 0.0717 0.114 Uiso 0.50 1 calc PR . 2
H20C H 0.5700 0.4678 0.0636 0.114 Uiso 0.50 1 calc PR . 2
C202 C 0.4554(5) 0.3517(5) -0.0482(4) 0.1089(15) Uani 0.50 1 d P A 1
H20H H 0.3793 0.3482 -0.0893 0.131 Uiso 0.50 1 calc PR A 1
H20I H 0.5128 0.3172 -0.0951 0.131 Uiso 0.50 1 calc PR A 1
C203 C 0.4554(5) 0.3517(5) -0.0482(4) 0.1089(15) Uani 0.50 1 d P B 2
H20D H 0.3759 0.3492 -0.0817 0.163 Uiso 0.50 1 calc PR B 2
H20E H 0.4562 0.3037 -0.0123 0.163 Uiso 0.50 1 calc PR B 2
H20F H 0.5073 0.3233 -0.1000 0.163 Uiso 0.50 1 calc PR B 2
C204 C 0.4454(7) 0.2969(8) 0.0120(6) 0.094(2) Uani 0.50 1 d P A 1
H20G H 0.4275 0.2147 -0.0316 0.140 Uiso 0.50 1 calc PR A 1
H20J H 0.3827 0.3273 0.0526 0.140 Uiso 0.50 1 calc PR A 1
H20K H 0.5191 0.3097 0.0580 0.140 Uiso 0.50 1 calc PR A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'
O O 0.0106 0.0060 '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
N1 Cu1 N2 80.91(6) .
N1 Cu1 P2 125.16(4) .
N2 Cu1 P2 121.72(5) .
N1 Cu1 P1 116.40(4) .
N2 Cu1 P1 125.27(5) .
P2 Cu1 P1 91.33(3) .
C1 P1 C7 104.23(7) .
C1 P1 C13 104.31(7) .
C7 P1 C13 103.79(8) .
C1 P1 Cu1 119.76(5) .
C7 P1 Cu1 120.95(5) .
C13 P1 Cu1 101.34(6) .
C21 P2 C15 104.60(7) .
C21 P2 C14 103.89(8) .
C15 P2 C14 103.83(8) .
C21 P2 Cu1 119.10(6) .
C15 P2 Cu1 120.28(6) .
C14 P2 Cu1 102.84(6) .
C2 C1 C6 119.12(15) .
C2 C1 P1 118.85(12) .
C6 C1 P1 122.02(12) .
C1 C2 C3 120.73(17) .
C1 C2 H2A 119.6 .
C3 C2 H2A 119.6 .
C4 C3 C2 119.52(17) .
C4 C3 H3A 120.2 .
C2 C3 H3A 120.2 .
C3 C4 C5 120.37(16) .
C3 C4 H4A 119.8 .
C5 C4 H4A 119.8 .
C4 C5 C6 120.35(17) .
C4 C5 H5A 119.8 .
C6 C5 H5A 119.8 .
C5 C6 C1 119.89(16) .
C5 C6 H6A 120.1 .
C1 C6 H6A 120.1 .
C8 C7 C12 118.97(15) .
C8 C7 P1 121.16(12) .
C12 C7 P1 119.68(12) .
C9 C8 C7 120.06(16) .
C9 C8 H8A 120.0 .
C7 C8 H8A 120.0 .
C10 C9 C8 120.61(18) .
C10 C9 H9A 119.7 .
C8 C9 H9A 119.7 .
C9 C10 C11 119.70(16) .
C9 C10 H10A 120.1 .
C11 C10 H10A 120.1 .
C10 C11 C12 120.31(17) .
C10 C11 H11A 119.8 .
C12 C11 H11A 119.8 .
C11 C12 C7 120.33(17) .
C11 C12 H12A 119.8 .
C7 C12 H12A 119.8 .
C14 C13 P1 109.66(11) .
C14 C13 H13A 109.7 .
P1 C13 H13A 109.7 .
C14 C13 H13B 109.7 .
P1 C13 H13B 109.7 .
H13A C13 H13B 108.2 .
C13 C14 P2 109.64(10) .
C13 C14 H14A 109.7 .
P2 C14 H14A 109.7 .
C13 C14 H14B 109.7 .
P2 C14 H14B 109.7 .
H14A C14 H14B 108.2 .
C20 C15 C16 118.54(15) .
C20 C15 P2 118.50(13) .
C16 C15 P2 122.96(13) .
C17 C16 C15 120.45(18) .
C17 C16 H16A 119.8 .
C15 C16 H16A 119.8 .
C18 C17 C16 120.20(19) .
C18 C17 H17A 119.9 .
C16 C17 H17A 119.9 .
C19 C18 C17 120.11(17) .
C19 C18 H18A 119.9 .
C17 C18 H18A 119.9 .
C18 C19 C20 119.60(19) .
C18 C19 H19A 120.2 .
C20 C19 H19A 120.2 .
C15 C20 C19 121.10(18) .
C15 C20 H20A 119.5 .
C19 C20 H20A 119.4 .
C26 C21 C22 119.01(16) .
C26 C21 P2 117.15(13) .
C22 C21 P2 123.84(15) .
C23 C22 C21 119.8(2) .
C23 C22 H22A 120.1 .
C21 C22 H22A 120.1 .
C24 C23 C22 120.78(19) .
C24 C23 H23A 119.6 .
C22 C23 H23A 119.6 .
C23 C24 C25 119.91(19) .
C23 C24 H24A 120.0 .
C25 C24 H24A 120.0 .
C24 C25 C26 119.8(2) .
C24 C25 H25A 120.1 .
C26 C25 H25A 120.1 .
C21 C26 C25 120.68(19) .
C21 C26 H26A 119.7 .
C25 C26 H26A 119.7 .
C27 N1 C31 118.73(13) .
C27 N1 Cu1 127.02(11) .
C31 N1 Cu1 114.25(10) .
C36 N2 C32 118.40(14) .
C36 N2 Cu1 127.76(11) .
C32 N2 Cu1 113.84(10) .
N1 C27 C28 123.28(16) .
N1 C27 H27A 118.4 .
C28 C27 H27A 118.4 .
C29 C28 C27 117.95(17) .
C29 C28 H28A 121.0 .
C27 C28 H28A 121.0 .
C28 C29 C30 119.55(16) .
C28 C29 H29A 120.2 .
C30 C29 H29A 120.2 .
C29 C30 C31 119.26(17) .
C29 C30 H30A 120.4 .
C31 C30 H30A 120.4 .
N1 C31 C30 121.19(15) .
N1 C31 C32 115.34(13) .
C30 C31 C32 123.47(15) .
N2 C32 C33 121.60(15) .
N2 C32 C31 115.65(13) .
C33 C32 C31 122.74(14) .
C34 C33 C32 119.20(17) .
C34 C33 H33A 120.4 .
C32 C33 H33A 120.4 .
C35 C34 C33 119.33(17) .
C35 C34 H34A 120.3 .
C33 C34 H34A 120.3 .
C36 C35 C34 118.31(17) .
C36 C35 H35A 120.8 .
C34 C35 H35A 120.8 .
N2 C36 C35 123.16(16) .
N2 C36 H36A 118.4 .
C35 C36 H36A 118.4 .
F11 P10 F13 90.02(13) .
F11 P10 F14 91.66(11) .
F13 P10 F14 90.06(10) .
F11 P10 F12 90.12(9) .
F13 P10 F12 179.57(9) .
F14 P10 F12 90.34(9) .
F11 P10 F15 178.29(10) .
F13 P10 F15 91.28(13) .
F14 P10 F15 89.45(10) .
F12 P10 F15 88.58(10) .
F11 P10 F10 90.35(10) .
F13 P10 F10 90.44(9) .
F14 P10 F10 177.93(11) .
F12 P10 F10 89.15(8) .
F15 P10 F10 88.53(10) .
Cl1 C100 Cl2 112.2(2) .
Cl1 C100 H10B 109.2 .
Cl2 C100 H10B 109.2 .
Cl1 C100 H10C 109.2 .
Cl2 C100 H10C 109.2 .
H10B C100 H10C 107.9 .
O200 O200 C202 111.6(4) 2_665
C204 C202 O200 104.0(5) .
C204 C202 H20H 111.0 .
O200 C202 H20H 111.0 .
C204 C202 H20I 111.0 .
O200 C202 H20I 111.0 .
H20H C202 H20I 109.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.0320(13) .
Cu1 N2 2.0337(15) .
Cu1 P2 2.2451(10) .
Cu1 P1 2.2496(11) .
P1 C1 1.8177(15) .
P1 C7 1.8189(16) .
P1 C13 1.8397(17) .
P2 C21 1.8214(17) .
P2 C15 1.8265(16) .
P2 C14 1.8388(17) .
C1 C2 1.387(2) .
C1 C6 1.394(2) .
C2 C3 1.394(2) .
C2 H2A 0.9500 .
C3 C4 1.377(3) .
C3 H3A 0.9500 .
C4 C5 1.379(3) .
C4 H4A 0.9500 .
C5 C6 1.390(2) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.396(2) .
C7 C12 1.397(2) .
C8 C9 1.392(2) .
C8 H8A 0.9500 .
C9 C10 1.382(3) .
C9 H9A 0.9500 .
C10 C11 1.383(3) .
C10 H10A 0.9500 .
C11 C12 1.392(2) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.531(2) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C20 1.382(2) .
C15 C16 1.398(2) .
C16 C17 1.386(3) .
C16 H16A 0.9500 .
C17 C18 1.383(3) .
C17 H17A 0.9500 .
C18 C19 1.378(3) .
C18 H18A 0.9500 .
C19 C20 1.396(3) .
C19 H19A 0.9500 .
C20 H20A 0.9500 .
C21 C26 1.386(3) .
C21 C22 1.394(2) .
C22 C23 1.394(3) .
C22 H22A 0.9500 .
C23 C24 1.374(4) .
C23 H23A 0.9500 .
C24 C25 1.379(3) .
C24 H24A 0.9500 .
C25 C26 1.397(3) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
N1 C27 1.3400(19) .
N1 C31 1.345(2) .
N2 C36 1.344(2) .
N2 C32 1.3493(19) .
C27 C28 1.384(2) .
C27 H27A 0.9500 .
C28 C29 1.377(3) .
C28 H28A 0.9500 .
C29 C30 1.386(3) .
C29 H29A 0.9500 .
C30 C31 1.391(2) .
C30 H30A 0.9500 .
C31 C32 1.478(2) .
C32 C33 1.389(2) .
C33 C34 1.385(3) .
C33 H33A 0.9500 .
C34 C35 1.383(3) .
C34 H34A 0.9500 .
C35 C36 1.380(3) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
P10 F11 1.577(2) .
P10 F13 1.5783(17) .
P10 F14 1.5841(15) .
P10 F12 1.5989(15) .
P10 F15 1.604(2) .
P10 F10 1.6036(14) .
C100 Cl1 1.722(4) .
C100 Cl2 1.757(4) .
C100 H10B 0.9900 .
C100 H10C 0.9900 .
O200 O200 1.338(8) 2_665
O200 C202 1.425(7) .
C202 C204 1.374(10) .
C202 H20H 0.9900 .
C202 H20I 0.9900 .
C204 H20G 0.9800 .
C204 H20J 0.9800 .
C204 H20K 0.9800 .
