#------------------------------------------------------------------------------
#$Date: 2017-10-10 05:34:57 +0300 (Tue, 10 Oct 2017) $
#$Revision: 201872 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/44/7044438.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_7044438
loop_
_publ_author_name
'Baskin, Maria'
'Fridman, Natalia'
'Kosa, Monica'
'Maayan, Galia'
_publ_section_title
;
 Heteroleptic Complexes via Solubility Control: Examples of Cu(II),
 Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of
 Terpyridine and Hydroxyquinoline
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03387G
_journal_year                    2017
_chemical_formula_moiety
'C43 H34 Cu2 N9 O2, 0.5(C8), 3(F6 P), 2(C2 H3 N), C2 N'
_chemical_formula_sum            'C53 H40 Cu2 F18 N12 O2 P3'
_chemical_formula_weight         1438.96
_chemical_name_common            'Galia23 (Masha)'
_chemical_name_systematic
;
 ? 
;
_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   mixed
_audit_creation_date             2017-09-28
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-09-28 deposited with the CCDC.
2017-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                91.421(7)
_cell_angle_beta                 97.104(5)
_cell_angle_gamma                104.077(6)
_cell_formula_units_Z            2
_cell_length_a                   10.3030(11)
_cell_length_b                   12.5250(18)
_cell_length_c                   24.583(4)
_cell_measurement_reflns_used    10011
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      0.905
_cell_measurement_theta_min      0.729
_cell_volume                     3048.5(7)
_computing_cell_refinement       'DENZO HKL2000 (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius, 2006)'
_computing_data_reduction        'DENZO HKL2000 (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean 95
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi- and omega-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.088
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10011
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.430
_diffrn_reflns_theta_max         24.430
_diffrn_reflns_theta_min         0.836
_exptl_absorpt_coefficient_mu    0.883
_exptl_absorpt_correction_T_max  24.430
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'  
;
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1446
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   0.883
_exptl_transmission_factor_min   0.759
_refine_diff_density_max         1.677
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         10011
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1419
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1425P)²+6.8043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2233
_refine_ls_wR_factor_ref         0.2554
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6440
_reflns_number_total             10011
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03387g2.cif
_cod_data_source_block           galia23
_cod_original_cell_volume        3048.5(8)
_cod_database_code               7044438
_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.
;
_shelx_estimated_absorpt_t_max   0.925
_shelx_estimated_absorpt_t_min   0.759
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8A), C9(H9), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
  C24(H24), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37)
2.b Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C123(H12A,H12B,H12C), C43(H43A,H43B,H43C), C45(H45A,H45B,
 H45C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Cu1 Cu 0.19863(8) 0.96284(6) 0.23986(3) 0.0419(3) Uani 1 1 d .
Cu2 Cu 0.32886(8) 0.73134(6) 0.28706(3) 0.0427(3) Uani 1 1 d .
O1 O 0.2225(5) 0.8791(4) 0.30176(19) 0.0449(11) Uani 1 1 d .
O2 O 0.4028(6) 0.4858(4) 0.3966(2) 0.0717(17) Uani 1 1 d .
N1 N 0.0254(6) 0.8659(4) 0.2002(3) 0.0489(15) Uani 1 1 d .
N2 N 0.2179(6) 1.0009(4) 0.1651(2) 0.0449(14) Uani 1 1 d .
N3 N 0.3830(6) 1.0679(4) 0.2525(2) 0.0461(14) Uani 1 1 d .
N4 N 0.1523(6) 0.6396(4) 0.2440(2) 0.0464(14) Uani 1 1 d .
N5 N 0.3606(6) 0.7660(4) 0.2127(2) 0.0423(13) Uani 1 1 d .
N6 N 0.5177(6) 0.8368(5) 0.3018(2) 0.0469(14) Uani 1 1 d .
N7 N 0.2798(6) 0.7204(4) 0.3639(2) 0.0428(14) Uani 1 1 d .
N8 N 0.3934(7) 0.5819(5) 0.3160(3) 0.0536(16) Uani 1 1 d .
H8 H 0.429(6) 0.537(5) 0.301(2) 0.022(16) Uiso 1 1 d .
N9 N 0.1047(7) 1.1020(6) 0.2579(3) 0.0605(17) Uani 1 1 d .
C1 C -0.0733(8) 0.8005(6) 0.2248(4) 0.057(2) Uani 1 1 d .
H1 H -0.0599 0.7949 0.2635 0.068 Uiso 1 1 calc R
C2 C -0.1924(8) 0.7421(6) 0.1950(4) 0.070(3) Uani 1 1 d .
H2 H -0.2602 0.6965 0.2130 0.084 Uiso 1 1 calc R
C3 C -0.2123(8) 0.7499(7) 0.1401(5) 0.073(3) Uani 1 1 d .
H3 H -0.2934 0.7086 0.1191 0.087 Uiso 1 1 calc R
C4 C -0.1135(10) 0.8188(7) 0.1144(4) 0.071(3) Uani 1 1 d .
H4 H -0.1275 0.8265 0.0759 0.086 Uiso 1 1 calc R
C5 C 0.0051(8) 0.8759(6) 0.1457(3) 0.0515(19) Uani 1 1 d .
C6 C 0.1197(8) 0.9515(6) 0.1251(3) 0.0487(18) Uani 1 1 d .
C7 C 0.1349(10) 0.9749(7) 0.0708(3) 0.067(2) Uani 1 1 d .
H7 H 0.0678 0.9390 0.0417 0.081 Uiso 1 1 calc R
C8 C 0.2467(11) 1.0494(8) 0.0602(3) 0.070(2) Uani 1 1 d .
H8A H 0.2560 1.0670 0.0233 0.084 Uiso 1 1 calc R
C9 C 0.3487(9) 1.1011(6) 0.1019(3) 0.063(2) Uani 1 1 d .
H9 H 0.4271 1.1531 0.0941 0.075 Uiso 1 1 calc R
C10 C 0.3309(8) 1.0733(6) 0.1556(3) 0.0495(18) Uani 1 1 d .
C11 C 0.4260(8) 1.1147(5) 0.2062(3) 0.0497(18) Uani 1 1 d .
C12 C 0.5479(8) 1.1921(6) 0.2086(4) 0.063(2) Uani 1 1 d .
H12 H 0.5777 1.2234 0.1761 0.075 Uiso 1 1 calc R
C13 C 0.6254(9) 1.2230(7) 0.2587(4) 0.072(3) Uani 1 1 d .
H13 H 0.7098 1.2758 0.2611 0.087 Uiso 1 1 calc R
C14 C 0.5806(9) 1.1773(6) 0.3055(4) 0.066(2) Uani 1 1 d .
H14 H 0.6333 1.1987 0.3403 0.079 Uiso 1 1 calc R
C15 C 0.4590(8) 1.1005(6) 0.3012(3) 0.0534(19) Uani 1 1 d .
H15 H 0.4277 1.0697 0.3336 0.064 Uiso 1 1 calc R
C16 C 0.0501(8) 0.5744(6) 0.2650(3) 0.0522(19) Uani 1 1 d .
H16 H 0.0546 0.5710 0.3037 0.063 Uiso 1 1 calc R
C17 C -0.0627(8) 0.5113(6) 0.2318(4) 0.061(2) Uani 1 1 d .
H17 H -0.1354 0.4666 0.2475 0.073 Uiso 1 1 calc R
C18 C -0.0672(9) 0.5146(6) 0.1758(4) 0.065(2) Uani 1 1 d .
H18 H -0.1422 0.4701 0.1524 0.078 Uiso 1 1 calc R
C19 C 0.0377(8) 0.5831(6) 0.1534(3) 0.058(2) Uani 1 1 d .
H19 H 0.0349 0.5881 0.1148 0.069 Uiso 1 1 calc R
C20 C 0.1472(7) 0.6441(5) 0.1894(3) 0.0414(16) Uani 1 1 d .
C21 C 0.2660(7) 0.7204(5) 0.1709(3) 0.0452(17) Uani 1 1 d .
C22 C 0.2866(9) 0.7464(6) 0.1173(3) 0.056(2) Uani 1 1 d .
H22 H 0.2200 0.7144 0.0873 0.068 Uiso 1 1 calc R
C23 C 0.4034(9) 0.8181(6) 0.1087(3) 0.058(2) Uani 1 1 d .
H23 H 0.4178 0.8371 0.0724 0.070 Uiso 1 1 calc R
C24 C 0.5009(8) 0.8636(6) 0.1520(3) 0.0540(19) Uani 1 1 d .
H24 H 0.5826 0.9137 0.1460 0.065 Uiso 1 1 calc R
C25 C 0.4771(7) 0.8348(5) 0.2042(3) 0.0450(17) Uani 1 1 d .
C26 C 0.5685(7) 0.8759(6) 0.2561(3) 0.0458(17) Uani 1 1 d .
C27 C 0.6949(8) 0.9483(6) 0.2592(4) 0.057(2) Uani 1 1 d .
H27 H 0.7287 0.9756 0.2267 0.069 Uiso 1 1 calc R
C28 C 0.7721(8) 0.9809(7) 0.3099(4) 0.066(2) Uani 1 1 d .
H28 H 0.8594 1.0296 0.3126 0.079 Uiso 1 1 calc R
C29 C 0.7188(8) 0.9408(7) 0.3563(4) 0.068(2) Uani 1 1 d .
H29 H 0.7687 0.9620 0.3917 0.081 Uiso 1 1 calc R
C30 C 0.5923(7) 0.8696(6) 0.3506(3) 0.056(2) Uani 1 1 d .
H30 H 0.5563 0.8426 0.3828 0.067 Uiso 1 1 calc R
C31 C 0.1887(7) 0.8782(5) 0.3520(3) 0.0426(16) Uani 1 1 d .
C32 C 0.1291(8) 0.9516(6) 0.3756(3) 0.0549(19) Uani 1 1 d .
H32 H 0.1110 1.0109 0.3551 0.066 Uiso 1 1 calc R
C33 C 0.0944(9) 0.9416(7) 0.4287(3) 0.067(2) Uani 1 1 d .
H33 H 0.0507 0.9930 0.4426 0.080 Uiso 1 1 calc R
C34 C 0.1207(10) 0.8614(8) 0.4610(4) 0.073(2) Uani 1 1 d .
H34 H 0.0976 0.8576 0.4972 0.087 Uiso 1 1 calc R
C35 C 0.1833(8) 0.7832(6) 0.4400(3) 0.0544(19) Uani 1 1 d .
C36 C 0.2130(9) 0.6962(7) 0.4698(3) 0.067(2) Uani 1 1 d .
H36 H 0.1911 0.6879 0.5061 0.080 Uiso 1 1 calc R
C37 C 0.2737(9) 0.6227(7) 0.4470(3) 0.063(2) Uani 1 1 d .
H37 H 0.2925 0.5630 0.4669 0.076 Uiso 1 1 calc R
C38 C 0.3070(7) 0.6379(6) 0.3941(3) 0.0491(18) Uani 1 1 d .
C39 C 0.2185(7) 0.7923(6) 0.3863(3) 0.0453(17) Uani 1 1 d .
C40 C 0.3732(8) 0.5641(6) 0.3644(3) 0.0544(19) Uani 1 1 d .
C41 C 0.4585(13) 0.4058(8) 0.3703(4) 0.099(4) Uani 1 1 d .
H41A H 0.3889 0.3599 0.3428 0.149 Uiso 1 1 calc GR
H41B H 0.4892 0.3590 0.3979 0.149 Uiso 1 1 calc GR
H41C H 0.5350 0.4442 0.3523 0.149 Uiso 1 1 calc GR
C123 C 0.0919(10) 1.2939(6) 0.2266(4) 0.077(3) Uani 1 1 d .
H12A H 0.0289 1.2858 0.1926 0.115 Uiso 1 1 calc GR
H12B H 0.1819 1.3349 0.2200 0.115 Uiso 1 1 calc GR
H12C H 0.0606 1.3340 0.2550 0.115 Uiso 1 1 calc GR
C124 C 0.0979(7) 1.1863(7) 0.2447(3) 0.0509(18) Uani 1 1 d .
P1 P 0.7970(3) 0.1292(2) 0.09197(11) 0.0721(7) Uani 1 1 d .
F1 F 0.8439(9) 0.2529(5) 0.1103(3) 0.137(3) Uani 1 1 d .
F2 F 0.9426(11) 0.1295(10) 0.0936(8) 0.288(9) Uani 1 1 d .
F3 F 0.7596(12) 0.0035(6) 0.0723(3) 0.182(4) Uani 1 1 d .
F4 F 0.6514(9) 0.1309(12) 0.0908(6) 0.231(6) Uani 1 1 d .
F5 F 0.8062(11) 0.0915(7) 0.1508(3) 0.183(4) Uani 1 1 d .
F6 F 0.7837(13) 0.1634(6) 0.0316(3) 0.183(4) Uani 1 1 d .
P2 P 0.9799(2) 0.30668(19) 0.38307(9) 0.0630(6) Uani 1 1 d .
F7 F 1.0361(7) 0.3576(6) 0.4422(2) 0.125(3) Uani 1 1 d .
F8 F 1.1171(9) 0.3140(17) 0.3684(4) 0.270(9) Uani 1 1 d .
F9 F 0.9205(6) 0.2520(5) 0.3238(2) 0.1011(19) Uani 1 1 d .
F10 F 0.8407(7) 0.2888(13) 0.3984(3) 0.230(7) Uani 1 1 d .
F11 F 0.979(2) 0.1975(8) 0.4034(5) 0.265(8) Uani 1 1 d .
F12 F 0.997(2) 0.4151(7) 0.3621(4) 0.273(9) Uani 1 1 d .
P3 P 0.4673(2) 0.47382(16) 0.17516(9) 0.0563(6) Uani 1 1 d .
F13 F 0.5226(5) 0.5918(4) 0.2075(3) 0.0882(17) Uani 1 1 d .
F14 F 0.6171(5) 0.4601(5) 0.1766(3) 0.1003(19) Uani 1 1 d .
F15 F 0.4103(5) 0.3558(4) 0.1444(2) 0.0795(15) Uani 1 1 d .
F16 F 0.3182(5) 0.4873(4) 0.1759(2) 0.0766(14) Uani 1 1 d .
F17 F 0.4592(6) 0.4177(4) 0.2329(2) 0.0836(15) Uani 1 1 d .
F18 F 0.4714(7) 0.5294(5) 0.1185(2) 0.108(2) Uani 1 1 d .
N10 N -0.0091(14) 0.3636(14) -0.0227(5) 0.189(7) Uani 1 1 d .
C42 C 0.0604(11) 0.3584(10) 0.0141(4) 0.099(4) Uani 1 1 d .
C43 C 0.1486(10) 0.3589(11) 0.0628(4) 0.104(4) Uani 1 1 d .
H43A H 0.2184 0.3216 0.0553 0.156 Uiso 1 1 calc GR
H43B H 0.0975 0.3203 0.0906 0.156 Uiso 1 1 calc GR
H43C H 0.1912 0.4352 0.0763 0.156 Uiso 1 1 calc GR
N11 N 0.4019(12) 0.2844(10) -0.0095(4) 0.113(3) Uani 1 1 d .
C44 C 0.5075(15) 0.3364(10) 0.0073(4) 0.085(3) Uani 1 1 d .
C45 C 0.6401(12) 0.4015(10) 0.0279(5) 0.106(4) Uani 1 1 d .
H45A H 0.7075 0.3721 0.0117 0.159 Uiso 1 1 calc GR
H45B H 0.6552 0.3989 0.0679 0.159 Uiso 1 1 calc GR
H45C H 0.6484 0.4780 0.0181 0.159 Uiso 1 1 calc GR
C46 C 0.1859(16) 0.3607(13) 0.6180(8) 0.138(5) Uiso 1 1 d .
N12 N 0.2055(16) 0.3421(13) 0.6619(7) 0.182(6) Uiso 1 1 d .
C47 C 0.164(2) 0.4157(19) 0.5673(10) 0.211(9) Uiso 1 1 d .
C48 C 0.499(2) 0.0354(16) 0.4796(9) 0.189(8) Uiso 1 1 d .
C49 C 0.4255(14) 0.1028(11) 0.5155(6) 0.122(4) Uiso 1 1 d .
C50 C 0.402(2) 0.1810(19) 0.4724(9) 0.205(8) Uiso 1 1 d .
C51 C 0.3297(18) 0.2663(14) 0.5036(7) 0.162(6) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3200 1.2650 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1020 0.0940 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0030 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 '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
O1 Cu1 N1 99.7(2) .
O1 Cu1 N2 153.4(2) .
O1 Cu1 N3 96.7(2) .
O1 Cu1 N9 112.5(2) .
N1 Cu1 N9 94.0(2) .
N2 Cu1 N1 79.7(3) .
N2 Cu1 N3 80.7(2) .
N2 Cu1 N9 94.0(2) .
N3 Cu1 N1 160.2(3) .
N3 Cu1 N9 90.0(2) .
N4 Cu2 O1 90.08(19) .
N4 Cu2 N6 159.2(2) .
N4 Cu2 N8 93.0(2) .
N5 Cu2 O1 95.28(19) .
N5 Cu2 N4 79.6(2) .
N5 Cu2 N6 79.6(2) .
N5 Cu2 N7 168.9(2) .
N5 Cu2 N8 114.4(2) .
N6 Cu2 O1 91.7(2) .
N6 Cu2 N8 95.7(2) .
N7 Cu2 O1 73.64(19) .
N7 Cu2 N4 100.0(2) .
N7 Cu2 N6 100.4(2) .
N7 Cu2 N8 76.7(2) .
N8 Cu2 O1 150.3(2) .
Cu1 O1 Cu2 114.8(2) .
C31 O1 Cu1 135.1(4) .
C31 O1 Cu2 109.9(4) .
C40 O2 C41 115.2(7) .
C1 N1 Cu1 125.1(5) .
C5 N1 Cu1 115.4(5) .
C5 N1 C1 119.3(6) .
C6 N2 Cu1 118.6(5) .
C6 N2 C10 123.1(6) .
C10 N2 Cu1 118.3(5) .
C11 N3 Cu1 114.2(5) .
C15 N3 Cu1 126.4(5) .
C15 N3 C11 119.2(6) .
C16 N4 Cu2 126.5(5) .
C16 N4 C20 119.4(6) .
C20 N4 Cu2 114.0(5) .
C21 N5 Cu2 119.2(5) .
C21 N5 C25 121.4(6) .
C25 N5 Cu2 119.3(5) .
C26 N6 Cu2 114.2(5) .
C30 N6 Cu2 127.3(5) .
C30 N6 C26 118.5(6) .
C38 N7 Cu2 118.9(5) .
C38 N7 C39 118.7(6) .
C39 N7 Cu2 122.3(4) .
Cu2 N8 H8 132(4) .
C40 N8 Cu2 112.0(5) .
C40 N8 H8 116(4) .
C124 N9 Cu1 142.3(6) .
N1 C1 H1 119.2 .
N1 C1 C2 121.5(9) .
C2 C1 H1 119.2 .
C1 C2 H2 120.2 .
C3 C2 C1 119.5(9) .
C3 C2 H2 120.2 .
C2 C3 H3 120.1 .
C2 C3 C4 119.8(8) .
C4 C3 H3 120.1 .
C3 C4 H4 120.5 .
C5 C4 C3 119.0(9) .
C5 C4 H4 120.5 .
N1 C5 C4 120.9(8) .
N1 C5 C6 113.1(6) .
C4 C5 C6 126.0(8) .
N2 C6 C5 113.1(6) .
N2 C6 C7 119.1(8) .
C7 C6 C5 127.8(7) .
C6 C7 H7 120.5 .
C8 C7 C6 119.0(8) .
C8 C7 H7 120.5 .
C7 C8 H8A 119.1 .
C7 C8 C9 121.8(8) .
C9 C8 H8A 119.1 .
C8 C9 H9 121.3 .
C8 C9 C10 117.3(8) .
C10 C9 H9 121.3 .
N2 C10 C9 119.6(7) .
N2 C10 C11 113.2(6) .
C9 C10 C11 127.2(8) .
N3 C11 C10 113.5(6) .
N3 C11 C12 121.0(7) .
C12 C11 C10 125.5(7) .
C11 C12 H12 120.5 .
C13 C12 C11 119.0(8) .
C13 C12 H12 120.5 .
C12 C13 H13 120.1 .
C12 C13 C14 119.9(8) .
C14 C13 H13 120.1 .
C13 C14 H14 120.4 .
C15 C14 C13 119.3(8) .
C15 C14 H14 120.4 .
N3 C15 C14 121.6(8) .
N3 C15 H15 119.2 .
C14 C15 H15 119.2 .
N4 C16 H16 119.1 .
N4 C16 C17 121.8(8) .
C17 C16 H16 119.1 .
C16 C17 H17 120.6 .
C18 C17 C16 118.8(8) .
C18 C17 H17 120.6 .
C17 C18 H18 120.0 .
C17 C18 C19 119.9(8) .
C19 C18 H18 120.0 .
C18 C19 H19 121.1 .
C18 C19 C20 117.9(8) .
C20 C19 H19 121.1 .
N4 C20 C19 122.1(7) .
N4 C20 C21 114.5(6) .
C19 C20 C21 123.4(7) .
N5 C21 C20 112.5(6) .
N5 C21 C22 119.8(7) .
C22 C21 C20 127.7(7) .
C21 C22 H22 120.5 .
C23 C22 C21 118.9(7) .
C23 C22 H22 120.5 .
C22 C23 H23 119.6 .
C22 C23 C24 120.8(7) .
C24 C23 H23 119.6 .
C23 C24 H24 120.8 .
C23 C24 C25 118.3(7) .
C25 C24 H24 120.8 .
N5 C25 C24 120.7(7) .
N5 C25 C26 112.8(6) .
C24 C25 C26 126.5(7) .
N6 C26 C25 114.0(6) .
N6 C26 C27 121.2(7) .
C27 C26 C25 124.8(7) .
C26 C27 H27 120.0 .
C28 C27 C26 120.0(8) .
C28 C27 H27 120.0 .
C27 C28 H28 120.8 .
C29 C28 C27 118.3(7) .
C29 C28 H28 120.8 .
C28 C29 H29 120.5 .
C30 C29 C28 119.0(8) .
C30 C29 H29 120.5 .
N6 C30 C29 123.0(8) .
N6 C30 H30 118.5 .
C29 C30 H30 118.5 .
O1 C31 C32 126.6(6) .
O1 C31 C39 117.2(6) .
C32 C31 C39 116.2(7) .
C31 C32 H32 119.0 .
C31 C32 C33 122.0(7) .
C33 C32 H32 119.0 .
C32 C33 H33 118.8 .
C34 C33 C32 122.4(8) .
C34 C33 H33 118.8 .
C33 C34 H34 120.4 .
C33 C34 C35 119.1(8) .
C35 C34 H34 120.4 .
C36 C35 C34 123.5(8) .
C36 C35 C39 117.5(7) .
C39 C35 C34 119.0(7) .
C35 C36 H36 119.6 .
C37 C36 C35 120.7(8) .
C37 C36 H36 119.6 .
C36 C37 H37 120.7 .
C36 C37 C38 118.5(7) .
C38 C37 H37 120.7 .
N7 C38 C37 122.7(7) .
N7 C38 C40 113.3(6) .
C37 C38 C40 124.1(7) .
N7 C39 C31 116.8(6) .
N7 C39 C35 121.8(6) .
C35 C39 C31 121.3(7) .
O2 C40 C38 111.2(7) .
N8 C40 O2 129.7(8) .
N8 C40 C38 119.1(7) .
O2 C41 H41A 109.5 .
O2 C41 H41B 109.5 .
O2 C41 H41C 109.5 .
H41A C41 H41B 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
H12A C123 H12B 109.5 .
H12A C123 H12C 109.5 .
H12B C123 H12C 109.5 .
C124 C123 H12A 109.5 .
C124 C123 H12B 109.5 .
C124 C123 H12C 109.5 .
N9 C124 C123 178.4(9) .
F1 P1 F3 176.0(6) .
F1 P1 F6 88.2(4) .
F2 P1 F1 87.7(6) .
F2 P1 F3 88.4(7) .
F2 P1 F4 179.0(9) .
F2 P1 F5 87.4(8) .
F2 P1 F6 93.6(8) .
F4 P1 F1 91.4(6) .
F4 P1 F3 92.5(7) .
F4 P1 F5 92.5(7) .
F4 P1 F6 86.5(7) .
F5 P1 F1 93.8(5) .
F5 P1 F3 87.0(5) .
F5 P1 F6 177.8(5) .
F6 P1 F3 91.1(4) .
F7 P2 F9 178.4(4) .
F8 P2 F7 92.6(4) .
F8 P2 F9 88.3(4) .
F8 P2 F10 175.0(11) .
F10 P2 F7 88.5(4) .
F10 P2 F9 90.5(4) .
F11 P2 F7 88.8(5) .
F11 P2 F8 88.6(10) .
F11 P2 F9 89.9(5) .
F11 P2 F10 86.6(9) .
F12 P2 F7 90.9(5) .
F12 P2 F8 84.7(10) .
F12 P2 F9 90.6(5) .
F12 P2 F10 100.2(10) .
F12 P2 F11 173.2(11) .
F13 P3 F17 89.1(3) .
F14 P3 F13 90.7(3) .
F14 P3 F17 89.1(3) .
F15 P3 F13 178.5(3) .
F15 P3 F14 90.1(3) .
F15 P3 F16 90.6(3) .
F15 P3 F17 89.6(3) .
F16 P3 F13 88.6(3) .
F16 P3 F14 178.1(3) .
F16 P3 F17 89.1(3) .
F18 P3 F13 90.8(3) .
F18 P3 F14 92.4(4) .
F18 P3 F15 90.5(3) .
F18 P3 F16 89.4(3) .
F18 P3 F17 178.5(3) .
N10 C42 C43 175.9(17) .
C42 C43 H43A 109.5 .
C42 C43 H43B 109.5 .
C42 C43 H43C 109.5 .
H43A C43 H43B 109.5 .
H43A C43 H43C 109.5 .
H43B C43 H43C 109.5 .
N11 C44 C45 179.5(13) .
C44 C45 H45A 109.5 .
C44 C45 H45B 109.5 .
C44 C45 H45C 109.5 .
H45A C45 H45B 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
N12 C46 C47 164(2) .
C48 C48 C49 89(2) 2_656
C50 C49 C48 95.6(14) .
C49 C50 C51 103.7(16) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.895(4) .
Cu1 N1 2.016(6) .
Cu1 N2 1.932(6) .
Cu1 N3 2.014(6) .
Cu1 N9 2.249(6) .
Cu2 O1 2.409(4) .
Cu2 N4 2.048(6) .
Cu2 N5 1.939(6) .
Cu2 N6 2.053(6) .
Cu2 N7 2.015(6) .
Cu2 N8 2.238(6) .
O1 C31 1.324(8) .
O2 C40 1.344(9) .
O2 C41 1.447(11) .
N1 C1 1.358(10) .
N1 C5 1.345(9) .
N2 C6 1.339(9) .
N2 C10 1.341(9) .
N3 C11 1.368(9) .
N3 C15 1.343(9) .
N4 C16 1.334(9) .
N4 C20 1.341(9) .
N5 C21 1.335(9) .
N5 C25 1.339(9) .
N6 C26 1.351(9) .
N6 C30 1.340(9) .
N7 C38 1.351(8) .
N7 C39 1.360(9) .
N8 H8 0.84(6) .
N8 C40 1.250(9) .
N9 C124 1.128(9) .
C1 H1 0.9500 .
C1 C2 1.375(11) .
C2 H2 0.9500 .
C2 C3 1.349(13) .
C3 H3 0.9500 .
C3 C4 1.393(13) .
C4 H4 0.9500 .
C4 C5 1.383(11) .
C5 C6 1.474(11) .
C6 C7 1.392(11) .
C7 H7 0.9500 .
C7 C8 1.353(12) .
C8 H8A 0.9500 .
C8 C9 1.395(12) .
C9 H9 0.9500 .
C9 C10 1.396(11) .
C10 C11 1.481(10) .
C11 C12 1.380(10) .
C12 H12 0.9500 .
C12 C13 1.373(12) .
C13 H13 0.9500 .
C13 C14 1.379(12) .
C14 H14 0.9500 .
C14 C15 1.372(11) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C16 C17 1.389(11) .
C17 H17 0.9500 .
C17 C18 1.373(12) .
C18 H18 0.9500 .
C18 C19 1.388(12) .
C19 H19 0.9500 .
C19 C20 1.392(10) .
C20 C21 1.485(10) .
C21 C22 1.395(10) .
C22 H22 0.9500 .
C22 C23 1.359(11) .
C23 H23 0.9500 .
C23 C24 1.375(11) .
C24 H24 0.9500 .
C24 C25 1.378(10) .
C25 C26 1.487(10) .
C26 C27 1.386(10) .
C27 H27 0.9500 .
C27 C28 1.386(11) .
C28 H28 0.9500 .
C28 C29 1.381(12) .
C29 H29 0.9500 .
C29 C30 1.377(11) .
C30 H30 0.9500 .
C31 C32 1.377(10) .
C31 C39 1.450(9) .
C32 H32 0.9500 .
C32 C33 1.396(11) .
C33 H33 0.9500 .
C33 C34 1.354(12) .
C34 H34 0.9500 .
C34 C35 1.416(11) .
C35 C36 1.401(11) .
C35 C39 1.412(10) .
C36 H36 0.9500 .
C36 C37 1.375(12) .
C37 H37 0.9500 .
C37 C38 1.391(11) .
C38 C40 1.499(11) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C123 H12A 0.9800 .
C123 H12B 0.9800 .
C123 H12C 0.9800 .
C123 C124 1.442(11) .
P1 F1 1.544(6) .
P1 F2 1.494(9) .
P1 F3 1.575(8) .
P1 F4 1.502(9) .
P1 F5 1.532(7) .
P1 F6 1.554(8) .
P2 F7 1.556(6) .
P2 F8 1.483(9) .
P2 F9 1.580(5) .
P2 F10 1.493(8) .
P2 F11 1.466(9) .
P2 F12 1.443(8) .
P3 F13 1.600(5) .
P3 F14 1.590(5) .
P3 F15 1.585(5) .
P3 F16 1.588(5) .
P3 F17 1.602(5) .
P3 F18 1.573(6) .
N10 C42 1.096(12) .
C42 C43 1.410(14) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
N11 C44 1.144(14) .
C44 C45 1.434(17) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 N12 1.114(19) .
C46 C47 1.46(2) .
C48 C48 1.36(3) 2_656
C48 C49 1.58(2) .
C49 C50 1.50(2) .
C50 C51 1.67(3) .
