#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:48:15 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175992 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/73/7037323.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_7037323
loop_
_publ_author_name
'Chen, Jing-Lin'
'Guo, Zong-Hao'
'Yu, Hua-Guang'
'He, Li-Hua'
'Liu, Sui-Jun'
'Wen, He-Rui'
'Wang, Jin-Yun'
_publ_section_title
;
 Luminescent dinuclear copper(i) complexes bearing
 1,4-bis(diphenylphosphino)butane and functionalized
 3-(2'-pyridyl)pyrazole mixed ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1039/c5dt03451e
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'C74 H68 Cl2 Cu2 F6 N6 O8 P4'
_chemical_formula_weight         1605.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-01 deposited with the CCDC.
2015-11-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 127.657(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.987(4)
_cell_length_b                   16.724(5)
_cell_length_c                   20.307(5)
_cell_measurement_reflns_used    11489
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      2.2052
_cell_volume                     3760.6(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_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  0.1275
_diffrn_reflns_av_sigmaI/netI    0.0862
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32284
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.010
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8579
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0823
_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)+(0.0973P)²+1.0106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2061
_refine_ls_wR_factor_ref         0.2285
_reflns_number_gt                6789
_reflns_number_total             8579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03451e2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037321--7037324.cif.
;
_cod_original_cell_volume        3760.6(18)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7037323
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cu1 Cu -0.67510(5) 0.28376(3) -0.03710(4) 0.04555(19) Uani 1 1 d .
Cl1 Cl -0.68307(15) 0.47420(9) -0.24893(9) 0.0702(4) Uani 1 1 d .
P1 P -0.47797(10) 0.25794(6) 0.03939(7) 0.0420(3) Uani 1 1 d .
P2 P -0.25818(10) 0.60053(6) 0.02059(8) 0.0438(3) Uani 1 1 d .
F1 F -1.0852(5) 0.2332(4) -0.4449(3) 0.165(3) Uani 1 1 d .
F2 F -1.0118(5) 0.3498(3) -0.4103(3) 0.1330(18) Uani 1 1 d .
F3 F -0.9107(4) 0.2574(3) -0.4110(3) 0.1107(14) Uani 1 1 d .
O1 O -0.6922(13) 0.4987(6) -0.1936(7) 0.280(7) Uani 1 1 d .
O2 O -0.7592(14) 0.5083(7) -0.3167(6) 0.380(12) Uani 1 1 d .
O3 O -0.6827(6) 0.3900(3) -0.2559(5) 0.130(2) Uani 1 1 d .
O4 O -0.5775(11) 0.5015(5) -0.2264(10) 0.291(7) Uani 1 1 d .
N1 N -0.7853(4) 0.1923(2) -0.0427(3) 0.0497(9) Uani 1 1 d .
N2 N -0.7975(3) 0.2605(2) -0.1671(2) 0.0485(9) Uani 1 1 d .
N3 N -0.8261(4) 0.2861(2) -0.2398(3) 0.0596(11) Uani 1 1 d .
H3B H -0.7826 0.3185 -0.2442 0.072 Uiso 1 1 calc R
C1 C -0.7760(5) 0.1580(3) 0.0205(3) 0.0586(12) Uani 1 1 d .
H1A H -0.7095 0.1706 0.0744 0.070 Uiso 1 1 calc R
C2 C -0.8598(6) 0.1051(4) 0.0095(4) 0.0740(16) Uani 1 1 d .
H2B H -0.8472 0.0805 0.0553 0.089 Uiso 1 1 calc R
C3 C -0.9605(6) 0.0891(4) -0.0679(5) 0.0813(18) Uani 1 1 d .
H3C H -1.0196 0.0551 -0.0762 0.098 Uiso 1 1 calc R
C4 C -0.9736(5) 0.1244(3) -0.1346(4) 0.0714(16) Uani 1 1 d .
H4A H -1.0425 0.1149 -0.1886 0.086 Uiso 1 1 calc R
C5 C -0.8832(4) 0.1741(3) -0.1204(3) 0.0516(11) Uani 1 1 d .
C6 C -0.8883(4) 0.2111(3) -0.1881(3) 0.0534(11) Uani 1 1 d .
C7 C -0.9746(5) 0.2057(3) -0.2736(4) 0.0697(15) Uani 1 1 d .
H7A H -1.0454 0.1758 -0.3029 0.084 Uiso 1 1 calc R
C8 C -0.9328(5) 0.2543(4) -0.3058(4) 0.0639(13) Uani 1 1 d .
C9 C -0.9844(7) 0.2731(5) -0.3915(5) 0.093(2) Uani 1 1 d .
C10 C -0.3760(4) 0.3383(3) 0.0555(3) 0.0474(10) Uani 1 1 d .
H10A H -0.3887 0.3847 0.0780 0.057 Uiso 1 1 calc R
H10B H -0.2932 0.3209 0.0963 0.057 Uiso 1 1 calc R
C11 C -0.3943(5) 0.3626(3) -0.0238(3) 0.0580(12) Uani 1 1 d .
H11A H -0.4776 0.3788 -0.0652 0.070 Uiso 1 1 calc R
H11B H -0.3793 0.3167 -0.0456 0.070 Uiso 1 1 calc R
C12 C -0.3103(5) 0.4316(3) -0.0095(4) 0.0581(13) Uani 1 1 d .
H12A H -0.2279 0.4181 0.0369 0.070 Uiso 1 1 calc R
H12B H -0.3139 0.4373 -0.0585 0.070 Uiso 1 1 calc R
C13 C -0.3425(4) 0.5105(3) 0.0083(3) 0.0512(11) Uani 1 1 d .
H13A H -0.3348 0.5040 0.0588 0.061 Uiso 1 1 calc R
H13B H -0.4271 0.5206 -0.0364 0.061 Uiso 1 1 calc R
C14 C -0.4366(4) 0.1727(3) 0.0054(3) 0.0487(10) Uani 1 1 d .
C15 C -0.3204(5) 0.1561(3) 0.0345(5) 0.0808(19) Uani 1 1 d .
H15A H -0.2566 0.1873 0.0764 0.097 Uiso 1 1 calc R
C16 C -0.2986(7) 0.0917(4) 0.0007(6) 0.111(3) Uani 1 1 d .
H16A H -0.2202 0.0819 0.0194 0.134 Uiso 1 1 calc R
C17 C -0.3873(7) 0.0449(4) -0.0572(5) 0.087(2) Uani 1 1 d .
H17A H -0.3708 0.0025 -0.0786 0.104 Uiso 1 1 calc R
C18 C -0.5032(7) 0.0589(4) -0.0856(5) 0.106(3) Uani 1 1 d .
H18A H -0.5657 0.0260 -0.1260 0.127 Uiso 1 1 calc R
C19 C -0.5267(6) 0.1223(3) -0.0538(4) 0.088(2) Uani 1 1 d .
H19A H -0.6056 0.1312 -0.0729 0.106 Uiso 1 1 calc R
C20 C -0.4217(4) 0.2326(3) 0.1448(3) 0.0495(10) Uani 1 1 d .
C21 C -0.4473(5) 0.1573(3) 0.1600(4) 0.0663(14) Uani 1 1 d .
H21A H -0.4826 0.1187 0.1185 0.080 Uiso 1 1 calc R
C22 C -0.4211(7) 0.1392(4) 0.2358(5) 0.090(2) Uani 1 1 d .
H22A H -0.4391 0.0887 0.2447 0.108 Uiso 1 1 calc R
C23 C -0.3679(8) 0.1960(5) 0.2988(5) 0.101(2) Uani 1 1 d .
H23A H -0.3506 0.1839 0.3498 0.121 Uiso 1 1 calc R
C24 C -0.3411(7) 0.2705(4) 0.2847(4) 0.0862(19) Uani 1 1 d .
H24A H -0.3043 0.3087 0.3267 0.103 Uiso 1 1 calc R
C25 C -0.3687(6) 0.2887(3) 0.2083(4) 0.0666(14) Uani 1 1 d .
H25A H -0.3515 0.3395 0.1994 0.080 Uiso 1 1 calc R
C26 C -0.1025(4) 0.5863(3) 0.1124(3) 0.0515(11) Uani 1 1 d .
C27 C -0.0692(6) 0.5394(4) 0.1780(4) 0.0764(16) Uani 1 1 d .
H27A H -0.1263 0.5070 0.1743 0.092 Uiso 1 1 calc R
C28 C 0.0488(7) 0.5393(5) 0.2501(4) 0.100(2) Uani 1 1 d .
H28A H 0.0693 0.5065 0.2940 0.120 Uiso 1 1 calc R
C29 C 0.1339(6) 0.5850(5) 0.2586(5) 0.095(2) Uani 1 1 d .
H29A H 0.2126 0.5841 0.3078 0.114 Uiso 1 1 calc R
C30 C 0.1035(5) 0.6342(4) 0.1928(4) 0.0785(17) Uani 1 1 d .
H30A H 0.1617 0.6662 0.1974 0.094 Uiso 1 1 calc R
C31 C -0.0125(4) 0.6347(3) 0.1218(4) 0.0639(14) Uani 1 1 d .
H31A H -0.0330 0.6680 0.0783 0.077 Uiso 1 1 calc R
C32 C -0.2503(4) 0.5970(3) -0.0653(3) 0.0515(11) Uani 1 1 d .
C33 C -0.3348(5) 0.6423(4) -0.1371(3) 0.0665(14) Uani 1 1 d .
H33A H -0.3925 0.6724 -0.1392 0.080 Uiso 1 1 calc R
C34 C -0.3328(7) 0.6425(5) -0.2048(4) 0.092(2) Uani 1 1 d .
H34A H -0.3888 0.6729 -0.2516 0.110 Uiso 1 1 calc R
C35 C -0.2491(6) 0.5982(4) -0.2028(4) 0.0809(18) Uani 1 1 d .
H35A H -0.2484 0.5979 -0.2483 0.097 Uiso 1 1 calc R
C36 C -0.1653(6) 0.5537(4) -0.1328(4) 0.0786(18) Uani 1 1 d .
H36A H -0.1068 0.5245 -0.1305 0.094 Uiso 1 1 calc R
C37 C -0.1690(5) 0.5530(3) -0.0669(4) 0.0652(14) Uani 1 1 d .
H37A H -0.1138 0.5212 -0.0211 0.078 Uiso 1 1 calc R
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'
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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_3
N1 Cu1 N2 78.15(15) .
N1 Cu1 P1 116.48(11) .
N2 Cu1 P1 122.96(11) .
N1 Cu1 P2 105.82(10) 3_465
N2 Cu1 P2 104.38(11) 3_465
P1 Cu1 P2 120.63(5) 3_465
O2 Cl1 O1 110.2(9) .
O2 Cl1 O4 104.1(10) .
O1 Cl1 O4 106.0(8) .
O2 Cl1 O3 113.4(6) .
O1 Cl1 O3 114.7(5) .
O4 Cl1 O3 107.7(5) .
C20 P1 C14 104.7(2) .
C20 P1 C10 103.3(2) .
C14 P1 C10 104.4(2) .
C20 P1 Cu1 109.05(15) .
C14 P1 Cu1 115.50(16) .
C10 P1 Cu1 118.50(15) .
C32 P2 C26 104.1(2) .
C32 P2 C13 104.7(2) .
C26 P2 C13 107.5(2) .
C32 P2 Cu1 116.30(16) 3_465
C26 P2 Cu1 107.67(15) 3_465
C13 P2 Cu1 115.72(14) 3_465
C1 N1 C5 117.4(4) .
C1 N1 Cu1 127.9(4) .
C5 N1 Cu1 114.2(3) .
N3 N2 C6 104.9(4) .
N3 N2 Cu1 141.2(3) .
C6 N2 Cu1 113.1(3) .
N2 N3 C8 111.7(4) .
N2 N3 H3B 124.2 .
C8 N3 H3B 124.2 .
N1 C1 C2 123.2(6) .
N1 C1 H1A 118.4 .
C2 C1 H1A 118.4 .
C3 C2 C1 119.7(6) .
C3 C2 H2B 120.1 .
C1 C2 H2B 120.1 .
C2 C3 C4 118.4(5) .
C2 C3 H3C 120.8 .
C4 C3 H3C 120.8 .
C3 C4 C5 119.5(6) .
C3 C4 H4A 120.2 .
C5 C4 H4A 120.2 .
N1 C5 C4 121.5(5) .
N1 C5 C6 115.8(4) .
C4 C5 C6 122.7(5) .
N2 C6 C7 111.6(5) .
N2 C6 C5 117.7(4) .
C7 C6 C5 130.7(4) .
C8 C7 C6 105.0(5) .
C8 C7 H7A 127.5 .
C6 C7 H7A 127.5 .
N3 C8 C7 106.8(5) .
N3 C8 C9 122.6(5) .
C7 C8 C9 130.6(6) .
F1 C9 F2 106.0(7) .
F1 C9 F3 106.7(7) .
F2 C9 F3 104.0(6) .
F1 C9 C8 112.1(6) .
F2 C9 C8 113.5(7) .
F3 C9 C8 113.7(6) .
C11 C10 P1 113.3(3) .
C11 C10 H10A 108.9 .
P1 C10 H10A 108.9 .
C11 C10 H10B 108.9 .
P1 C10 H10B 108.9 .
H10A C10 H10B 107.7 .
C10 C11 C12 112.5(4) .
C10 C11 H11A 109.1 .
C12 C11 H11A 109.1 .
C10 C11 H11B 109.1 .
C12 C11 H11B 109.1 .
H11A C11 H11B 107.8 .
C13 C12 C11 113.3(4) .
C13 C12 H12A 108.9 .
C11 C12 H12A 108.9 .
C13 C12 H12B 108.9 .
C11 C12 H12B 108.9 .
H12A C12 H12B 107.7 .
C12 C13 P2 119.3(3) .
C12 C13 H13A 107.5 .
P2 C13 H13A 107.5 .
C12 C13 H13B 107.5 .
P2 C13 H13B 107.5 .
H13A C13 H13B 107.0 .
C19 C14 C15 117.6(5) .
C19 C14 P1 118.4(4) .
C15 C14 P1 124.0(4) .
C14 C15 C16 119.8(6) .
C14 C15 H15A 120.1 .
C16 C15 H15A 120.1 .
C17 C16 C15 121.4(6) .
C17 C16 H16A 119.3 .
C15 C16 H16A 119.3 .
C16 C17 C18 119.9(6) .
C16 C17 H17A 120.0 .
C18 C17 H17A 120.0 .
C17 C18 C19 119.6(7) .
C17 C18 H18A 120.2 .
C19 C18 H18A 120.2 .
C14 C19 C18 121.7(6) .
C14 C19 H19A 119.1 .
C18 C19 H19A 119.1 .
C25 C20 C21 117.9(5) .
C25 C20 P1 122.5(4) .
C21 C20 P1 119.0(4) .
C22 C21 C20 121.1(6) .
C22 C21 H21A 119.5 .
C20 C21 H21A 119.5 .
C21 C22 C23 120.4(6) .
C21 C22 H22A 119.8 .
C23 C22 H22A 119.8 .
C24 C23 C22 119.0(6) .
C24 C23 H23A 120.5 .
C22 C23 H23A 120.5 .
C23 C24 C25 120.4(7) .
C23 C24 H24A 119.8 .
C25 C24 H24A 119.8 .
C24 C25 C20 121.2(6) .
C24 C25 H25A 119.4 .
C20 C25 H25A 119.4 .
C27 C26 C31 117.1(5) .
C27 C26 P2 124.0(4) .
C31 C26 P2 118.4(4) .
C26 C27 C28 120.8(6) .
C26 C27 H27A 119.6 .
C28 C27 H27A 119.6 .
C29 C28 C27 121.9(7) .
C29 C28 H28A 119.1 .
C27 C28 H28A 119.1 .
C28 C29 C30 119.2(7) .
C28 C29 H29A 120.4 .
C30 C29 H29A 120.4 .
C31 C30 C29 119.1(6) .
C31 C30 H30A 120.4 .
C29 C30 H30A 120.4 .
C30 C31 C26 121.9(6) .
C30 C31 H31A 119.0 .
C26 C31 H31A 119.0 .
C37 C32 C33 116.5(5) .
C37 C32 P2 125.3(4) .
C33 C32 P2 118.2(3) .
C34 C33 C32 120.9(5) .
C34 C33 H33A 119.6 .
C32 C33 H33A 119.6 .
C35 C34 C33 120.2(6) .
C35 C34 H34A 119.9 .
C33 C34 H34A 119.9 .
C34 C35 C36 119.7(6) .
C34 C35 H35A 120.1 .
C36 C35 H35A 120.1 .
C37 C36 C35 119.7(5) .
C37 C36 H36A 120.2 .
C35 C36 H36A 120.2 .
C36 C37 C32 123.0(6) .
C36 C37 H37A 118.5 .
C32 C37 H37A 118.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.125(4) .
Cu1 N2 2.129(4) .
Cu1 P1 2.2290(14) .
Cu1 P2 2.2605(13) 3_465
Cl1 O2 1.249(9) .
Cl1 O1 1.273(6) .
Cl1 O4 1.331(8) .
Cl1 O3 1.416(5) .
P1 C20 1.822(5) .
P1 C14 1.825(4) .
P1 C10 1.838(4) .
P2 C32 1.814(5) .
P2 C26 1.820(5) .
P2 C13 1.833(4) .
P2 Cu1 2.2605(13) 3_465
F1 C9 1.318(8) .
F2 C9 1.328(9) .
F3 C9 1.337(8) .
N1 C1 1.336(6) .
N1 C5 1.348(6) .
N2 N3 1.341(6) .
N2 C6 1.347(6) .
N3 C8 1.365(7) .
N3 H3B 0.8600 .
C1 C2 1.374(7) .
C1 H1A 0.9300 .
C2 C3 1.350(9) .
C2 H2B 0.9300 .
C3 C4 1.384(8) .
C3 H3C 0.9300 .
C4 C5 1.389(6) .
C4 H4A 0.9300 .
C5 C6 1.469(7) .
C6 C7 1.386(8) .
C7 C8 1.378(8) .
C7 H7A 0.9300 .
C8 C9 1.452(9) .
C10 C11 1.524(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.543(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.507(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C19 1.375(7) .
C14 C15 1.377(7) .
C15 C16 1.408(8) .
C15 H15A 0.9300 .
C16 C17 1.323(10) .
C16 H16A 0.9300 .
C17 C18 1.369(10) .
C17 H17A 0.9300 .
C18 C19 1.382(8) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 C25 1.388(7) .
C20 C21 1.395(7) .
C21 C22 1.379(8) .
C21 H21A 0.9300 .
C22 C23 1.389(11) .
C22 H22A 0.9300 .
C23 C24 1.382(10) .
C23 H23A 0.9300 .
C24 C25 1.384(8) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.359(7) .
C26 C31 1.408(7) .
C27 C28 1.384(9) .
C27 H27A 0.9300 .
C28 C29 1.335(10) .
C28 H28A 0.9300 .
C29 C30 1.396(10) .
C29 H29A 0.9300 .
C30 C31 1.362(8) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
C32 C37 1.373(6) .
C32 C33 1.410(7) .
C33 C34 1.392(8) .
C33 H33A 0.9300 .
C34 C35 1.366(9) .
C34 H34A 0.9300 .
C35 C36 1.381(9) .
C35 H35A 0.9300 .
C36 C37 1.371(7) .
C36 H36A 0.9300 .
C37 H37A 0.9300 .
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
_geom_torsion_site_symmetry_1
N1 Cu1 P1 C20 -56.2(2) .
N2 Cu1 P1 C20 -149.0(2) .
P2 Cu1 P1 C20 74.30(17) 3_465
N1 Cu1 P1 C14 61.3(2) .
N2 Cu1 P1 C14 -31.5(2) .
P2 Cu1 P1 C14 -168.21(17) 3_465
N1 Cu1 P1 C10 -173.8(2) .
N2 Cu1 P1 C10 93.4(2) .
P2 Cu1 P1 C10 -43.32(18) 3_465
N2 Cu1 N1 C1 178.5(4) .
P1 Cu1 N1 C1 57.5(4) .
P2 Cu1 N1 C1 -79.7(4) 3_465
N2 Cu1 N1 C5 -9.3(3) .
P1 Cu1 N1 C5 -130.4(3) .
P2 Cu1 N1 C5 92.5(3) 3_465
N1 Cu1 N2 N3 176.6(5) .
P1 Cu1 N2 N3 -69.4(5) .
P2 Cu1 N2 N3 73.1(5) 3_465
N1 Cu1 N2 C6 8.4(3) .
P1 Cu1 N2 C6 122.4(3) .
P2 Cu1 N2 C6 -95.1(3) 3_465
C6 N2 N3 C8 0.2(5) .
Cu1 N2 N3 C8 -168.5(4) .
C5 N1 C1 C2 1.0(7) .
Cu1 N1 C1 C2 172.9(4) .
N1 C1 C2 C3 -3.6(9) .
C1 C2 C3 C4 2.6(10) .
C2 C3 C4 C5 0.7(9) .
C1 N1 C5 C4 2.6(7) .
Cu1 N1 C5 C4 -170.5(4) .
C1 N1 C5 C6 -178.3(4) .
Cu1 N1 C5 C6 8.7(5) .
C3 C4 C5 N1 -3.4(8) .
C3 C4 C5 C6 177.4(5) .
N3 N2 C6 C7 -0.4(5) .
Cu1 N2 C6 C7 172.0(4) .
N3 N2 C6 C5 -179.1(4) .
Cu1 N2 C6 C5 -6.7(5) .
N1 C5 C6 N2 -1.3(6) .
C4 C5 C6 N2 177.8(5) .
N1 C5 C6 C7 -179.7(5) .
C4 C5 C6 C7 -0.6(9) .
N2 C6 C7 C8 0.3(6) .
C5 C6 C7 C8 178.8(5) .
N2 N3 C8 C7 0.0(6) .
N2 N3 C8 C9 179.5(6) .
C6 C7 C8 N3 -0.2(6) .
C6 C7 C8 C9 -179.6(7) .
N3 C8 C9 F1 177.5(6) .
C7 C8 C9 F1 -3.1(12) .
N3 C8 C9 F2 -62.3(9) .
C7 C8 C9 F2 117.1(8) .
N3 C8 C9 F3 56.4(10) .
C7 C8 C9 F3 -124.2(7) .
C20 P1 C10 C11 172.3(3) .
C14 P1 C10 C11 63.1(4) .
Cu1 P1 C10 C11 -67.1(4) .
P1 C10 C11 C12 178.5(3) .
C10 C11 C12 C13 -70.0(6) .
C11 C12 C13 P2 -176.3(4) .
C32 P2 C13 C12 46.0(5) .
C26 P2 C13 C12 -64.3(5) .
Cu1 P2 C13 C12 175.4(4) 3_465
C20 P1 C14 C19 108.6(5) .
C10 P1 C14 C19 -143.2(5) .
Cu1 P1 C14 C19 -11.3(5) .
C20 P1 C14 C15 -72.4(5) .
C10 P1 C14 C15 35.8(5) .
Cu1 P1 C14 C15 167.7(5) .
C19 C14 C15 C16 3.0(10) .
P1 C14 C15 C16 -176.0(6) .
C14 C15 C16 C17 -2.0(13) .
C15 C16 C17 C18 0.3(14) .
C16 C17 C18 C19 0.4(13) .
C15 C14 C19 C18 -2.3(10) .
P1 C14 C19 C18 176.7(6) .
C17 C18 C19 C14 0.7(12) .
C14 P1 C20 C25 140.7(4) .
C10 P1 C20 C25 31.7(5) .
Cu1 P1 C20 C25 -95.2(4) .
C14 P1 C20 C21 -48.5(4) .
C10 P1 C20 C21 -157.5(4) .
Cu1 P1 C20 C21 75.7(4) .
C25 C20 C21 C22 0.1(8) .
P1 C20 C21 C22 -171.1(5) .
C20 C21 C22 C23 -0.2(10) .
C21 C22 C23 C24 -0.4(12) .
C22 C23 C24 C25 1.1(12) .
C23 C24 C25 C20 -1.2(10) .
C21 C20 C25 C24 0.6(8) .
P1 C20 C25 C24 171.5(5) .
C32 P2 C26 C27 -138.3(5) .
C13 P2 C26 C27 -27.6(5) .
Cu1 P2 C26 C27 97.7(5) 3_465
C32 P2 C26 C31 50.7(4) .
C13 P2 C26 C31 161.4(4) .
Cu1 P2 C26 C31 -73.3(4) 3_465
C31 C26 C27 C28 -0.6(9) .
P2 C26 C27 C28 -171.7(5) .
C26 C27 C28 C29 0.2(12) .
C27 C28 C29 C30 -0.2(12) .
C28 C29 C30 C31 0.5(10) .
C29 C30 C31 C26 -0.8(9) .
C27 C26 C31 C30 0.9(8) .
P2 C26 C31 C30 172.5(4) .
C26 P2 C32 C37 31.2(5) .
C13 P2 C32 C37 -81.5(5) .
Cu1 P2 C32 C37 149.5(4) 3_465
C26 P2 C32 C33 -149.4(4) .
C13 P2 C32 C33 97.9(4) .
Cu1 P2 C32 C33 -31.2(5) 3_465
C37 C32 C33 C34 -1.0(8) .
P2 C32 C33 C34 179.6(5) .
C32 C33 C34 C35 0.4(11) .
C33 C34 C35 C36 -0.6(11) .
C34 C35 C36 C37 1.6(10) .
C35 C36 C37 C32 -2.3(10) .
C33 C32 C37 C36 2.0(8) .
P2 C32 C37 C36 -178.6(5) .
