#------------------------------------------------------------------------------
#$Date: 2015-06-04 06:32:09 +0300 (Thu, 04 Jun 2015) $
#$Revision: 137844 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/31/4513151.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_4513151
loop_
_publ_author_name
'Abrahams, Brendan F.'
'Elliott, Robert W.'
'Hudson, Timothy A.'
'Robson, Richard'
'Sutton, Ashley L.'
_publ_section_title
;
 New CuI2(TCNQ--II) and CuI2(F4TCNQ--II) Coordination Polymers
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2437
_journal_paper_doi               10.1021/acs.cgd.5b00220
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C66 H45 Cu2 F4 N4 P3'
_chemical_formula_weight         1190.05
_chemical_name_common            '[Cu2(F4TCNQ)(PPh3)3]'
_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                62.791(4)
_cell_angle_beta                 72.902(3)
_cell_angle_gamma                82.785(3)
_cell_formula_units_Z            2
_cell_length_a                   13.6794(4)
_cell_length_b                   15.0604(6)
_cell_length_c                   15.7902(6)
_cell_measurement_reflns_used    9875
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      74.4495
_cell_measurement_theta_min      3.2640
_cell_volume                     2765.1(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.2273
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_laue_measured_fraction_full 0.987
_diffrn_reflns_laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20127
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.998
_diffrn_reflns_theta_min         3.267
_exptl_absorpt_coefficient_mu    2.259
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       'Rectangular block'
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.1554
_exptl_crystal_size_mid          0.0752
_exptl_crystal_size_min          0.0355
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         9946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0139P)²+4.9371P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0742
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8430
_reflns_number_total             9946
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00220_si_002.cif
_cod_data_source_block           PPh33
_cod_database_code               4513151
_shelx_shelxl_version_number     2014/7
_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.
;
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
Cu2 Cu 0.77337(2) 0.37309(2) 0.27256(2) 0.01888(8) Uani 1 1 d . .
Cu1 Cu 0.86247(3) -0.09338(2) 0.18030(2) 0.02302(8) Uani 1 1 d . .
P1 P 0.79749(4) 0.00219(4) 0.05603(4) 0.02006(12) Uani 1 1 d . .
P2 P 0.68883(4) 0.46036(4) 0.15796(4) 0.01850(11) Uani 1 1 d . .
P3 P 0.67790(4) 0.28114(4) 0.43158(4) 0.02068(12) Uani 1 1 d . .
F3 F 1.05430(11) 0.41663(10) 0.37317(10) 0.0293(3) Uani 1 1 d . .
F4 F 0.87754(10) 0.66142(10) 0.46804(10) 0.0288(3) Uani 1 1 d . .
F1 F 0.89487(10) -0.12493(9) 0.47744(10) 0.0254(3) Uani 1 1 d . .
F2 F 1.03523(10) 0.19367(9) 0.36697(10) 0.0257(3) Uani 1 1 d . .
N2 N 0.86339(14) 0.26190(13) 0.25388(14) 0.0214(4) Uani 1 1 d . .
N3 N 0.86858(15) 0.46358(14) 0.27336(14) 0.0240(4) Uani 1 1 d . .
N1 N 0.87982(17) -0.02992(15) 0.25729(15) 0.0309(5) Uani 1 1 d . .
C7 C 0.89309(16) 0.51781(16) 0.29635(16) 0.0210(5) Uani 1 1 d . .
C43 C 0.62010(17) 0.57108(16) 0.16332(17) 0.0232(5) Uani 1 1 d . .
C55 C 0.73324(17) 0.27838(16) 0.52487(16) 0.0213(4) Uani 1 1 d . .
C9 C 0.92091(18) 0.58189(16) 0.32746(17) 0.0229(5) Uani 1 1 d . .
C2 C 0.88794(16) 0.17943(16) 0.28646(16) 0.0193(4) Uani 1 1 d . .
C21 C 0.48756(18) 0.04542(18) 0.0854(2) 0.0297(5) Uani 1 1 d . .
H21 H 0.4431 0.0738 0.0435 0.036 Uiso 1 1 calc R U
N4 N 0.88964(18) 0.76806(15) 0.23651(16) 0.0341(5) Uani 1 1 d . .
C4 C 0.95955(16) 0.03888(16) 0.41408(16) 0.0195(4) Uani 1 1 d . .
C25 C 0.83988(18) 0.13225(16) -0.00404(17) 0.0236(5) Uani 1 1 d . .
C3 C 0.91627(17) 0.07879(16) 0.32959(16) 0.0208(4) Uani 1 1 d . .
C31 C 0.76502(17) 0.51476(16) 0.02897(17) 0.0224(5) Uani 1 1 d . .
C32 C 0.86343(19) 0.54632(17) 0.01147(18) 0.0284(5) Uani 1 1 d . .
H32 H 0.8886 0.5347 0.0657 0.034 Uiso 1 1 calc R U
C11 C 1.02543(17) 0.45941(16) 0.43531(17) 0.0222(5) Uani 1 1 d . .
C6 C 1.01459(16) 0.09686(15) 0.43285(16) 0.0195(4) Uani 1 1 d . .
C12 C 0.93808(17) 0.58053(16) 0.48229(17) 0.0214(5) Uani 1 1 d . .
C10 C 0.96113(17) 0.54158(16) 0.41385(17) 0.0202(4) Uani 1 1 d . .
C48 C 0.64749(19) 0.61350(17) 0.21522(18) 0.0282(5) Uani 1 1 d . .
H48 H 0.6979 0.5826 0.2500 0.034 Uiso 1 1 calc R U
C13 C 0.80944(17) -0.03499(17) -0.04139(17) 0.0233(5) Uani 1 1 d . .
C5 C 0.94780(16) -0.06059(16) 0.48547(16) 0.0201(4) Uani 1 1 d . .
C66 C 0.70001(18) 0.07282(17) 0.54241(17) 0.0267(5) Uani 1 1 d . .
H66 H 0.7249 0.0886 0.5842 0.032 Uiso 1 1 calc R U
C8 C 0.90306(18) 0.68353(17) 0.27757(17) 0.0251(5) Uani 1 1 d . .
C38 C 0.6221(2) 0.31580(18) 0.12353(19) 0.0303(5) Uani 1 1 d . .
H38 H 0.6899 0.3187 0.0834 0.036 Uiso 1 1 calc R U
C49 C 0.54516(18) 0.31671(17) 0.46643(17) 0.0250(5) Uani 1 1 d . .
C45 C 0.5018(2) 0.70551(19) 0.1132(2) 0.0375(6) Uani 1 1 d . .
H45 H 0.4520 0.7374 0.0779 0.045 Uiso 1 1 calc R U
C37 C 0.59262(17) 0.38145(16) 0.16614(16) 0.0221(5) Uani 1 1 d . .
C44 C 0.54699(19) 0.61800(18) 0.11176(19) 0.0302(5) Uani 1 1 d . .
H44 H 0.5280 0.5902 0.0755 0.036 Uiso 1 1 calc R U
C19 C 0.65852(17) 0.00559(16) 0.10421(17) 0.0220(5) Uani 1 1 d . .
C61 C 0.66920(16) 0.14895(17) 0.46310(17) 0.0235(5) Uani 1 1 d . .
C42 C 0.49389(18) 0.37346(18) 0.22830(19) 0.0291(5) Uani 1 1 d . .
H42 H 0.4733 0.4164 0.2595 0.035 Uiso 1 1 calc R U
C46 C 0.5287(2) 0.74628(18) 0.1658(2) 0.0367(6) Uani 1 1 d . .
H46 H 0.4971 0.8058 0.1669 0.044 Uiso 1 1 calc R U
C18 C 0.7833(2) -0.13382(18) -0.01085(19) 0.0317(5) Uani 1 1 d . .
H18 H 0.7609 -0.1775 0.0577 0.038 Uiso 1 1 calc R U
C35 C 0.7927(2) 0.5789(2) -0.14642(19) 0.0392(6) Uani 1 1 d . .
H35 H 0.7686 0.5894 -0.2009 0.047 Uiso 1 1 calc R U
C20 C 0.59207(18) 0.04370(17) 0.04459(18) 0.0261(5) Uani 1 1 d . .
H20 H 0.6184 0.0690 -0.0250 0.031 Uiso 1 1 calc R U
C1 C 0.89556(17) 0.01850(16) 0.29139(16) 0.0231(5) Uani 1 1 d . .
C23 C 0.5128(2) -0.0331(2) 0.2464(2) 0.0406(7) Uani 1 1 d . .
H23 H 0.4857 -0.0603 0.3161 0.049 Uiso 1 1 calc R U
C56 C 0.83880(18) 0.26529(17) 0.50838(18) 0.0255(5) Uani 1 1 d . .
H56 H 0.8777 0.2603 0.4500 0.031 Uiso 1 1 calc R U
C24 C 0.61764(19) -0.0334(2) 0.20619(19) 0.0328(6) Uani 1 1 d . .
H24 H 0.6618 -0.0603 0.2485 0.039 Uiso 1 1 calc R U
C62 C 0.63362(18) 0.12466(19) 0.40226(19) 0.0304(5) Uani 1 1 d . .
H62 H 0.6135 0.1761 0.3472 0.036 Uiso 1 1 calc R U
C22 C 0.44804(19) 0.00605(19) 0.1864(2) 0.0331(6) Uani 1 1 d . .
H22 H 0.3763 0.0060 0.2144 0.040 Uiso 1 1 calc R U
C39 C 0.5530(2) 0.2462(2) 0.1395(2) 0.0400(6) Uani 1 1 d . .
H39 H 0.5733 0.2025 0.1092 0.048 Uiso 1 1 calc R U
C47 C 0.6014(2) 0.70085(18) 0.2165(2) 0.0349(6) Uani 1 1 d . .
H47 H 0.6202 0.7291 0.2524 0.042 Uiso 1 1 calc R U
C17 C 0.7895(2) -0.1687(2) -0.0796(2) 0.0371(6) Uani 1 1 d . .
H17 H 0.7705 -0.2357 -0.0580 0.045 Uiso 1 1 calc R U
C50 C 0.5265(2) 0.4180(2) 0.4344(2) 0.0361(6) Uani 1 1 d . .
H50 H 0.5821 0.4642 0.3980 0.043 Uiso 1 1 calc R U
C30 C 0.92346(19) 0.15355(19) 0.01678(19) 0.0323(6) Uani 1 1 d . .
H30 H 0.9587 0.1005 0.0577 0.039 Uiso 1 1 calc R U
C28 C 0.9063(2) 0.32903(19) -0.0819(2) 0.0374(6) Uani 1 1 d . .
H28 H 0.9283 0.3960 -0.1079 0.045 Uiso 1 1 calc R U
C14 C 0.84370(19) 0.02703(18) -0.14196(18) 0.0303(5) Uani 1 1 d . .
H14 H 0.8628 0.0942 -0.1641 0.036 Uiso 1 1 calc R U
C60 C 0.67756(19) 0.28769(18) 0.60939(18) 0.0288(5) Uani 1 1 d . .
H60 H 0.6054 0.2950 0.6224 0.035 Uiso 1 1 calc R U
C34 C 0.8899(2) 0.60975(18) -0.1627(2) 0.0390(7) Uani 1 1 d . .
H34 H 0.9326 0.6415 -0.2282 0.047 Uiso 1 1 calc R U
C65 C 0.69450(19) -0.02606(18) 0.56079(19) 0.0324(6) Uani 1 1 d . .
H65 H 0.7159 -0.0777 0.6149 0.039 Uiso 1 1 calc R U
C40 C 0.4547(2) 0.2400(2) 0.1994(2) 0.0408(7) Uani 1 1 d . .
H40 H 0.4073 0.1929 0.2096 0.049 Uiso 1 1 calc R U
C26 C 0.79090(19) 0.21138(18) -0.06597(19) 0.0302(5) Uani 1 1 d . .
H26 H 0.7342 0.1983 -0.0820 0.036 Uiso 1 1 calc R U
C64 C 0.6580(2) -0.04942(19) 0.5007(2) 0.0375(6) Uani 1 1 d . .
H64 H 0.6537 -0.1171 0.5135 0.045 Uiso 1 1 calc R U
C63 C 0.6275(2) 0.0262(2) 0.4216(2) 0.0375(6) Uani 1 1 d . .
H63 H 0.6022 0.0102 0.3802 0.045 Uiso 1 1 calc R U
C54 C 0.46242(19) 0.2509(2) 0.5183(2) 0.0351(6) Uani 1 1 d . .
H54 H 0.4735 0.1814 0.5395 0.042 Uiso 1 1 calc R U
C29 C 0.9563(2) 0.2517(2) -0.0216(2) 0.0408(7) Uani 1 1 d . .
H29 H 1.0132 0.2654 -0.0063 0.049 Uiso 1 1 calc R U
C57 C 0.88722(19) 0.25954(17) 0.57597(18) 0.0290(5) Uani 1 1 d . .
H57 H 0.9585 0.2470 0.5658 0.035 Uiso 1 1 calc R U
C36 C 0.7295(2) 0.53229(19) -0.05065(18) 0.0325(6) Uani 1 1 d . .
H36 H 0.6620 0.5126 -0.0401 0.039 Uiso 1 1 calc R U
C27 C 0.8240(2) 0.30870(18) -0.1044(2) 0.0346(6) Uani 1 1 d . .
H27 H 0.7899 0.3619 -0.1464 0.042 Uiso 1 1 calc R U
C59 C 0.7275(2) 0.2862(2) 0.67497(19) 0.0352(6) Uani 1 1 d . .
H59 H 0.6895 0.2951 0.7314 0.042 Uiso 1 1 calc R U
C33 C 0.9252(2) 0.59462(19) -0.0843(2) 0.0361(6) Uani 1 1 d . .
H33 H 0.9918 0.6171 -0.0955 0.043 Uiso 1 1 calc R U
C41 C 0.4259(2) 0.3026(2) 0.2443(2) 0.0370(6) Uani 1 1 d . .
H41 H 0.3589 0.2972 0.2867 0.044 Uiso 1 1 calc R U
C16 C 0.8234(2) -0.1063(2) -0.1795(2) 0.0350(6) Uani 1 1 d . .
H16 H 0.8282 -0.1304 -0.2267 0.042 Uiso 1 1 calc R U
C52 C 0.3471(2) 0.3867(2) 0.5083(3) 0.0499(8) Uani 1 1 d . .
H52 H 0.2797 0.4105 0.5237 0.060 Uiso 1 1 calc R U
C51 C 0.4278(2) 0.4528(2) 0.4548(2) 0.0469(7) Uani 1 1 d . .
H51 H 0.4160 0.5225 0.4317 0.056 Uiso 1 1 calc R U
C58 C 0.8320(2) 0.27197(19) 0.65882(19) 0.0330(6) Uani 1 1 d . .
H58 H 0.8657 0.2707 0.7041 0.040 Uiso 1 1 calc R U
C15 C 0.8501(2) -0.0089(2) -0.2103(2) 0.0371(6) Uani 1 1 d . .
H15 H 0.8732 0.0341 -0.2790 0.045 Uiso 1 1 calc R U
C53 C 0.3637(2) 0.2858(2) 0.5396(3) 0.0476(8) Uani 1 1 d . .
H53 H 0.3077 0.2401 0.5757 0.057 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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'
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
N3 Cu2 N2 104.89(8) . .
N3 Cu2 P2 110.02(6) . .
N2 Cu2 P2 115.96(6) . .
N3 Cu2 P3 108.92(6) . .
N2 Cu2 P3 98.42(6) . .
P2 Cu2 P3 117.47(2) . .
N4 Cu1 N1 112.86(9) 1_545 .
N4 Cu1 P1 131.62(6) 1_545 .
N1 Cu1 P1 115.01(6) . .
C13 P1 C25 107.23(11) . .
C13 P1 C19 102.26(10) . .
C25 P1 C19 105.05(10) . .
C13 P1 Cu1 119.23(7) . .
C25 P1 Cu1 113.22(8) . .
C19 P1 Cu1 108.44(8) . .
C37 P2 C31 105.97(11) . .
C37 P2 C43 105.37(10) . .
C31 P2 C43 100.25(10) . .
C37 P2 Cu2 110.07(7) . .
C31 P2 Cu2 116.80(7) . .
C43 P2 Cu2 117.12(8) . .
C49 P3 C55 104.60(10) . .
C49 P3 C61 103.79(10) . .
C55 P3 C61 103.05(10) . .
C49 P3 Cu2 117.82(8) . .
C55 P3 Cu2 113.24(7) . .
C61 P3 Cu2 112.83(7) . .
C2 N2 Cu2 148.97(18) . .
C7 N3 Cu2 156.53(19) . .
C1 N1 Cu1 170.9(2) . .
N3 C7 C9 178.1(3) . .
C44 C43 C48 119.0(2) . .
C44 C43 P2 122.30(18) . .
C48 C43 P2 118.49(18) . .
C60 C55 C56 119.1(2) . .
C60 C55 P3 124.51(18) . .
C56 C55 P3 116.35(17) . .
C8 C9 C7 118.0(2) . .
C8 C9 C10 121.6(2) . .
C7 C9 C10 120.28(19) . .
N2 C2 C3 177.9(2) . .
C22 C21 C20 120.2(2) . .
C8 N4 Cu1 174.9(2) . 1_565
C6 C4 C5 113.3(2) . .
C6 C4 C3 123.39(19) . .
C5 C4 C3 123.3(2) . .
C30 C25 C26 118.3(2) . .
C30 C25 P1 117.64(18) . .
C26 C25 P1 123.97(19) . .
C1 C3 C2 116.6(2) . .
C1 C3 C4 122.02(19) . .
C2 C3 C4 121.29(19) . .
C36 C31 C32 118.9(2) . .
C36 C31 P2 124.84(18) . .
C32 C31 P2 116.07(18) . .
C33 C32 C31 120.7(2) . .
F3 C11 C12 117.89(19) . 2_766
F3 C11 C10 119.4(2) . .
C12 C11 C10 122.8(2) 2_766 .
F2 C6 C5 117.04(18) . 2_756
F2 C6 C4 119.23(19) . .
C5 C6 C4 123.7(2) 2_756 .
F4 C12 C11 117.65(19) . 2_766
F4 C12 C10 119.32(19) . .
C11 C12 C10 123.0(2) 2_766 .
C11 C10 C12 114.2(2) . .
C11 C10 C9 122.3(2) . .
C12 C10 C9 123.5(2) . .
C47 C48 C43 120.4(2) . .
C14 C13 C18 118.7(2) . .
C14 C13 P1 124.76(18) . .
C18 C13 P1 116.50(18) . .
F1 C5 C6 117.28(19) . 2_756
F1 C5 C4 119.71(19) . .
C6 C5 C4 123.0(2) 2_756 .
C65 C66 C61 120.3(2) . .
N4 C8 C9 178.9(3) . .
C39 C38 C37 120.3(2) . .
C50 C49 C54 118.4(2) . .
C50 C49 P3 116.46(19) . .
C54 C49 P3 125.12(19) . .
C46 C45 C44 120.4(2) . .
C38 C37 C42 119.1(2) . .
C38 C37 P2 119.33(18) . .
C42 C37 P2 120.64(18) . .
C45 C44 C43 120.0(2) . .
C20 C19 C24 118.4(2) . .
C20 C19 P1 123.44(18) . .
C24 C19 P1 118.15(18) . .
C62 C61 C66 119.1(2) . .
C62 C61 P3 117.87(18) . .
C66 C61 P3 122.97(18) . .
C41 C42 C37 119.8(2) . .
C47 C46 C45 120.1(2) . .
C17 C18 C13 120.6(2) . .
C34 C35 C36 120.5(3) . .
C21 C20 C19 120.8(2) . .
N1 C1 C3 178.2(3) . .
C22 C23 C24 120.6(2) . .
C57 C56 C55 120.6(2) . .
C23 C24 C19 120.4(2) . .
C63 C62 C61 120.2(2) . .
C23 C22 C21 119.6(2) . .
C40 C39 C38 120.3(3) . .
C46 C47 C48 120.0(2) . .
C16 C17 C18 120.3(2) . .
C49 C50 C51 120.9(3) . .
C25 C30 C29 120.8(2) . .
C29 C28 C27 119.7(2) . .
C13 C14 C15 120.2(2) . .
C55 C60 C59 119.9(2) . .
C33 C34 C35 120.0(2) . .
C64 C65 C66 120.1(2) . .
C41 C40 C39 119.8(2) . .
C27 C26 C25 120.7(2) . .
C65 C64 C63 119.7(2) . .
C62 C63 C64 120.6(3) . .
C49 C54 C53 120.7(3) . .
C28 C29 C30 120.0(3) . .
C56 C57 C58 120.1(2) . .
C31 C36 C35 120.0(2) . .
C28 C27 C26 120.4(2) . .
C58 C59 C60 120.6(2) . .
C34 C33 C32 119.8(3) . .
C40 C41 C42 120.7(2) . .
C15 C16 C17 119.5(2) . .
C51 C52 C53 120.0(3) . .
C52 C51 C50 120.0(3) . .
C59 C58 C57 119.5(2) . .
C16 C15 C14 120.7(2) . .
C52 C53 C54 119.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu2 N3 2.0061(19) .
Cu2 N2 2.0316(18) .
Cu2 P2 2.2391(6) .
Cu2 P3 2.2966(7) .
Cu1 N4 1.894(2) 1_545
Cu1 N1 1.933(2) .
Cu1 P1 2.1986(7) .
P1 C13 1.823(2) .
P1 C25 1.826(2) .
P1 C19 1.832(2) .
P2 C37 1.820(2) .
P2 C31 1.829(2) .
P2 C43 1.833(2) .
P3 C49 1.823(2) .
P3 C55 1.827(2) .
P3 C61 1.829(2) .
F3 C11 1.349(2) .
F4 C12 1.351(2) .
F1 C5 1.350(2) .
F2 C6 1.353(2) .
N2 C2 1.154(3) .
N3 C7 1.150(3) .
N1 C1 1.155(3) .
C7 C9 1.397(3) .
C43 C44 1.392(3) .
C43 C48 1.393(3) .
C55 C60 1.388(3) .
C55 C56 1.395(3) .
C9 C8 1.393(3) .
C9 C10 1.460(3) .
C2 C3 1.405(3) .
C21 C22 1.378(4) .
C21 C20 1.387(3) .
N4 C8 1.154(3) .
N4 Cu1 1.894(2) 1_565
C4 C6 1.396(3) .
C4 C5 1.397(3) .
C4 C3 1.461(3) .
C25 C30 1.389(3) .
C25 C26 1.394(3) .
C3 C1 1.391(3) .
C31 C36 1.382(3) .
C31 C32 1.392(3) .
C32 C33 1.388(3) .
C11 C12 1.376(3) 2_766
C11 C10 1.392(3) .
C6 C5 1.379(3) 2_756
C12 C11 1.376(3) 2_766
C12 C10 1.394(3) .
C48 C47 1.392(3) .
C13 C14 1.389(3) .
C13 C18 1.397(3) .
C5 C6 1.379(3) 2_756
C66 C65 1.388(3) .
C66 C61 1.392(3) .
C38 C39 1.387(4) .
C38 C37 1.393(3) .
C49 C50 1.386(3) .
C49 C54 1.388(3) .
C45 C46 1.380(4) .
C45 C44 1.391(3) .
C37 C42 1.398(3) .
C19 C20 1.386(3) .
C19 C24 1.392(3) .
C61 C62 1.391(3) .
C42 C41 1.390(3) .
C46 C47 1.377(4) .
C18 C17 1.384(4) .
C35 C34 1.376(4) .
C35 C36 1.393(4) .
C23 C22 1.371(4) .
C23 C24 1.387(4) .
C56 C57 1.379(3) .
C62 C63 1.378(4) .
C39 C40 1.384(4) .
C17 C16 1.383(4) .
C50 C51 1.387(4) .
C30 C29 1.394(4) .
C28 C29 1.378(4) .
C28 C27 1.382(4) .
C14 C15 1.390(4) .
C60 C59 1.390(4) .
C34 C33 1.373(4) .
C65 C64 1.380(4) .
C40 C41 1.378(4) .
C26 C27 1.383(3) .
C64 C63 1.384(4) .
C54 C53 1.388(4) .
C57 C58 1.387(4) .
C59 C58 1.383(4) .
C16 C15 1.378(4) .
C52 C51 1.372(4) .
C52 C53 1.378(4) .
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
C1 C3 C4 C5 -25.5(3)
C2 C3 C4 C6 -27.6(3)
C7 C9 C10 C11 37.0(3)
C8 C9 C10 C12 33.7(3)
