#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:03:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179275 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/95/4319566.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_4319566
loop_
_publ_author_name
'Louise M. Liable-Sands'
'Christopher Incarvito'
'Arnold L. Rheingold'
'C. Jin Qin'
'Anna L. Gavrilova'
'B. Bosnich'
_publ_contact_author
; 
     Dr. B. Bosnich
     Department of Chemistry 
     5735 South Ellis Ave. 
     The University of Chicago, Chicago, IL 60637 
     USA 
;
_publ_contact_author_email       bos5@midway.uchicago.edu
_publ_contact_author_fax         '+773 702 0805'
_publ_contact_author_phone       '+773 702 0287'
_publ_section_title
;
 Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes
 Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2147
_journal_page_last               2155
_journal_paper_doi               10.1021/ic0012625
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C43 H39 Cu2 F12 N7 O4 P2'
_chemical_formula_weight         1134.83
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.7382(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.9346(3)
_cell_length_b                   8.85063(2)
_cell_length_c                   24.7046(2)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     4793.82(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0845
_diffrn_reflns_av_sigmaI/netI    0.0998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22498
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.9793
_exptl_absorpt_correction_T_min  0.6788
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin blade'
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.538
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.1180
_refine_ls_R_factor_gt           0.0613
_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)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1332
_reflns_number_gt                4649
_reflns_number_total             7456
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0012625_2.cif
_cod_data_source_block           complex_19
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4793.83(8)
_cod_database_code               4319566
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.19225(3) 0.27781(7) 0.35371(3) 0.02456(19) Uani 1 1 d . . .
Cu2 Cu 0.31742(3) 0.30791(8) 0.42470(3) 0.0347(2) Uani 1 1 d . . .
O1 O 0.28451(16) 0.2008(4) 0.36030(14) 0.0283(9) Uani 1 1 d . . .
O2 O 0.23771(17) 0.3933(4) 0.43395(14) 0.0295(9) Uani 1 1 d . . .
O7 O 0.27364(18) 0.2061(4) 0.18505(15) 0.0345(10) Uani 1 1 d . . .
O30 O 0.06398(17) 0.3172(4) 0.49840(15) 0.0339(10) Uani 1 1 d . . .
N1 N 0.2281(2) 0.4227(5) 0.30248(18) 0.0270(11) Uani 1 1 d . . .
N2 N 0.1628(2) 0.1427(5) 0.28706(18) 0.0302(12) Uani 1 1 d . . .
N3 N 0.3757(2) 0.1449(6) 0.4404(2) 0.0413(14) Uani 1 1 d . . .
N4 N 0.3554(2) 0.4315(6) 0.4818(2) 0.0384(13) Uani 1 1 d . . .
N5 N 0.1688(2) 0.1352(5) 0.41161(18) 0.0301(12) Uani 1 1 d . . .
N6 N 0.1140(2) 0.3960(5) 0.36415(18) 0.0264(11) Uani 1 1 d . . .
N42 N 0.3726(3) 0.4537(7) 0.3612(3) 0.0602(19) Uani 1 1 d . . .
C1 C 0.2307(3) 0.5716(6) 0.3168(2) 0.0330(15) Uani 1 1 d . . .
H1A H 0.2093 0.6039 0.3476 0.040 Uiso 1 1 calc R . .
C2 C 0.2629(3) 0.6759(6) 0.2886(3) 0.0414(17) Uani 1 1 d . . .
H2A H 0.2632 0.7791 0.2993 0.050 Uiso 1 1 calc R . .
C3 C 0.2952(3) 0.6291(7) 0.2443(3) 0.0497(19) Uani 1 1 d . . .
H3A H 0.3184 0.6990 0.2242 0.060 Uiso 1 1 calc R . .
C4 C 0.2927(3) 0.4773(6) 0.2298(3) 0.0406(16) Uani 1 1 d . . .
H4A H 0.3144 0.4425 0.1995 0.049 Uiso 1 1 calc R . .
C5 C 0.2588(3) 0.3771(6) 0.2594(2) 0.0270(14) Uani 1 1 d . . .
C6 C 0.2588(3) 0.2077(6) 0.2405(2) 0.0263(13) Uani 1 1 d . . .
C7 C 0.2296(3) 0.2710(7) 0.1474(2) 0.0504(19) Uani 1 1 d . . .
H7A H 0.2447 0.2633 0.1106 0.076 Uiso 1 1 calc R . .
H7B H 0.2233 0.3775 0.1565 0.076 Uiso 1 1 calc R . .
H7C H 0.1909 0.2163 0.1496 0.076 Uiso 1 1 calc R . .
C8 C 0.2002(3) 0.1132(6) 0.2474(2) 0.0265(14) Uani 1 1 d . . .
C9 C 0.1893(3) -0.0069(7) 0.2125(2) 0.0433(17) Uani 1 1 d . . .
H9A H 0.2173 -0.0285 0.1849 0.052 Uiso 1 1 calc R . .
C10 C 0.1386(3) -0.0944(7) 0.2174(3) 0.0472(18) Uani 1 1 d . . .
H10A H 0.1312 -0.1771 0.1936 0.057 Uiso 1 1 calc R . .
C11 C 0.0987(3) -0.0616(7) 0.2570(3) 0.0411(17) Uani 1 1 d . . .
H11A H 0.0624 -0.1188 0.2606 0.049 Uiso 1 1 calc R . .
C12 C 0.1122(3) 0.0570(6) 0.2919(2) 0.0379(16) Uani 1 1 d . . .
H12A H 0.0851 0.0788 0.3201 0.045 Uiso 1 1 calc R . .
C13 C 0.3112(2) 0.1216(6) 0.2702(2) 0.0293(14) Uani 1 1 d . . .
C14 C 0.3206(3) 0.1255(6) 0.3278(2) 0.0293(14) Uani 1 1 d . . .
C15 C 0.3715(3) 0.0409(6) 0.3498(3) 0.0360(16) Uani 1 1 d . . .
C16 C 0.4063(3) -0.0488(7) 0.3164(3) 0.0452(18) Uani 1 1 d . . .
H16A H 0.4382 -0.1085 0.3319 0.054 Uiso 1 1 calc R . .
C17 C 0.3955(3) -0.0532(7) 0.2611(3) 0.0480(19) Uani 1 1 d . . .
H17A H 0.4200 -0.1141 0.2387 0.058 Uiso 1 1 calc R . .
C18 C 0.3485(3) 0.0328(6) 0.2389(3) 0.0362(16) Uani 1 1 d . . .
H18A H 0.3414 0.0310 0.2008 0.043 Uiso 1 1 calc R . .
C19 C 0.3904(3) 0.0450(7) 0.4067(3) 0.0438(17) Uani 1 1 d . . .
H19A H 0.4160 -0.0346 0.4197 0.053 Uiso 1 1 calc R . .
C20 C 0.4003(3) 0.1363(8) 0.4970(3) 0.0524(19) Uani 1 1 d . . .
H20A H 0.4233 0.0408 0.5018 0.063 Uiso 1 1 calc R . .
H20B H 0.3659 0.1343 0.5220 0.063 Uiso 1 1 calc R . .
C21 C 0.4420(3) 0.2682(8) 0.5120(3) 0.056(2) Uani 1 1 d . . .
H21A H 0.4838 0.2441 0.5006 0.068 Uiso 1 1 calc R . .
H21B H 0.4435 0.2792 0.5519 0.068 Uiso 1 1 calc R . .
C22 C 0.4226(3) 0.4203(8) 0.4867(3) 0.0533(19) Uani 1 1 d . . .
H22A H 0.4386 0.5041 0.5096 0.064 Uiso 1 1 calc R . .
H22B H 0.4401 0.4300 0.4504 0.064 Uiso 1 1 calc R . .
C23 C 0.3263(3) 0.5196(6) 0.5135(2) 0.0370(16) Uani 1 1 d . . .
H23A H 0.3502 0.5835 0.5367 0.044 Uiso 1 1 calc R . .
C24 C 0.2616(3) 0.5306(6) 0.5171(2) 0.0342(15) Uani 1 1 d . . .
C25 C 0.2195(3) 0.4540(6) 0.4801(2) 0.0281(14) Uani 1 1 d . . .
C26 C 0.1590(3) 0.4428(6) 0.4951(2) 0.0247(13) Uani 1 1 d . . .
C27 C 0.1380(3) 0.5217(6) 0.5403(2) 0.0329(15) Uani 1 1 d . . .
H27A H 0.0962 0.5161 0.5491 0.040 Uiso 1 1 calc R . .
C28 C 0.1785(3) 0.6089(6) 0.5725(2) 0.0356(16) Uani 1 1 d . . .
H28A H 0.1641 0.6669 0.6019 0.043 Uiso 1 1 calc R . .
C29 C 0.2388(3) 0.6089(6) 0.5609(2) 0.0362(16) Uani 1 1 d . . .
H29A H 0.2663 0.6646 0.5836 0.043 Uiso 1 1 calc R . .
C30 C 0.1144(3) 0.3387(6) 0.4638(2) 0.0267(14) Uani 1 1 d . . .
C31 C 0.0174(3) 0.2166(7) 0.4784(3) 0.0515(19) Uani 1 1 d . . .
H31A H -0.0149 0.2094 0.5048 0.077 Uiso 1 1 calc R . .
H31B H 0.0349 0.1163 0.4726 0.077 Uiso 1 1 calc R . .
H31C H 0.0002 0.2554 0.4440 0.077 Uiso 1 1 calc R . .
C32 C 0.1445(3) 0.1824(6) 0.4575(2) 0.0308(14) Uani 1 1 d . . .
C33 C 0.1470(3) 0.0934(7) 0.5040(3) 0.052(2) Uani 1 1 d . . .
H33A H 0.1317 0.1304 0.5370 0.063 Uiso 1 1 calc R . .
C34 C 0.1723(4) -0.0508(8) 0.5012(3) 0.078(3) Uani 1 1 d . . .
H34A H 0.1738 -0.1138 0.5324 0.094 Uiso 1 1 calc R . .
C35 C 0.1947(4) -0.1008(7) 0.4538(3) 0.066(2) Uani 1 1 d . . .
H35A H 0.2115 -0.1994 0.4512 0.079 Uiso 1 1 calc R . .
C36 C 0.1927(3) -0.0051(7) 0.4094(3) 0.0435(17) Uani 1 1 d . . .
H36A H 0.2086 -0.0394 0.3762 0.052 Uiso 1 1 calc R . .
C37 C 0.0880(3) 0.4651(6) 0.3193(2) 0.0339(15) Uani 1 1 d . . .
H37A H 0.1045 0.4466 0.2849 0.041 Uiso 1 1 calc R . .
C38 C 0.0388(3) 0.5604(6) 0.3230(3) 0.0359(16) Uani 1 1 d . . .
H38A H 0.0212 0.6057 0.2913 0.043 Uiso 1 1 calc R . .
C39 C 0.0152(3) 0.5895(7) 0.3728(3) 0.0394(16) Uani 1 1 d . . .
H39A H -0.0179 0.6574 0.3763 0.047 Uiso 1 1 calc R . .
C40 C 0.0409(3) 0.5176(6) 0.4176(2) 0.0311(14) Uani 1 1 d . . .
H40A H 0.0248 0.5355 0.4523 0.037 Uiso 1 1 calc R . .
C41 C 0.0896(3) 0.4204(6) 0.4127(2) 0.0262(14) Uani 1 1 d . . .
C42 C 0.4046(4) 0.4410(11) 0.3262(5) 0.090(3) Uani 1 1 d . . .
C43 C 0.4471(4) 0.4087(17) 0.2811(4) 0.165(6) Uani 1 1 d . . .
H43A H 0.4706 0.3171 0.2896 0.248 Uiso 1 1 calc R . .
H43A H 0.4750 0.4941 0.2770 0.248 Uiso 1 1 calc R . .
H43A H 0.4234 0.3938 0.2472 0.248 Uiso 1 1 calc R . .
P1 P 0.06303(8) 0.50110(19) 0.15486(7) 0.0384(4) Uani 1 1 d . . .
F1 F 0.08638(18) 0.6136(4) 0.10940(16) 0.0660(12) Uani 1 1 d . . .
F2 F 0.00042(15) 0.4752(4) 0.12100(14) 0.0487(10) Uani 1 1 d . . .
F3 F 0.04016(16) 0.3885(4) 0.20038(13) 0.0484(10) Uani 1 1 d . . .
F4 F 0.12571(15) 0.5281(4) 0.18917(14) 0.0503(10) Uani 1 1 d . . .
F5 F 0.09305(15) 0.3615(4) 0.12403(14) 0.0494(10) Uani 1 1 d . . .
F6 F 0.03291(17) 0.6398(4) 0.18580(16) 0.0602(11) Uani 1 1 d . . .
P2 P 0.42488(9) 0.6694(2) 0.11744(7) 0.0428(5) Uani 1 1 d . . .
F7 F 0.4821(3) 0.7707(7) 0.1148(2) 0.144(3) Uani 1 1 d . . .
F8 F 0.4095(2) 0.6976(4) 0.05511(15) 0.0789(14) Uani 1 1 d . . .
F9 F 0.3684(3) 0.5648(7) 0.1186(2) 0.128(2) Uani 1 1 d . . .
F10 F 0.4396(2) 0.6426(5) 0.17966(16) 0.0888(16) Uani 1 1 d . . .
F11 F 0.3851(3) 0.8079(6) 0.13270(18) 0.134(3) Uani 1 1 d . . .
F12 F 0.4645(2) 0.5307(5) 0.10124(18) 0.0973(18) Uani 1 1 d . . .
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'
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
_geom_angle_publ_flag
N1 Cu1 N5 170.94(18) . . ?
N1 Cu1 N6 95.79(18) . . ?
N5 Cu1 N6 89.82(18) . . ?
N1 Cu1 N2 89.23(18) . . ?
N5 Cu1 N2 96.97(18) . . ?
N6 Cu1 N2 98.62(18) . . ?
N1 Cu1 O1 82.06(16) . . ?
N5 Cu1 O1 90.48(16) . . ?
N6 Cu1 O1 162.86(15) . . ?
N2 Cu1 O1 98.35(16) . . ?
N1 Cu1 O2 95.06(15) . . ?
N5 Cu1 O2 77.75(15) . . ?
N6 Cu1 O2 90.42(15) . . ?
N2 Cu1 O2 169.57(15) . . ?
O1 Cu1 O2 72.92(13) . . ?
O2 Cu2 N4 93.61(19) . . ?
O2 Cu2 N3 148.8(2) . . ?
N4 Cu2 N3 90.5(2) . . ?
O2 Cu2 O1 88.44(15) . . ?
N4 Cu2 O1 172.45(19) . . ?
N3 Cu2 O1 91.53(18) . . ?
O2 Cu2 N42 110.2(2) . . ?
N4 Cu2 N42 87.6(2) . . ?
N3 Cu2 N42 100.8(2) . . ?
O1 Cu2 N42 84.85(19) . . ?
C14 O1 Cu2 121.4(3) . . ?
C14 O1 Cu1 134.1(3) . . ?
Cu2 O1 Cu1 103.37(16) . . ?
C25 O2 Cu2 123.8(3) . . ?
C25 O2 Cu1 138.2(3) . . ?
Cu2 O2 Cu1 95.18(15) . . ?
C6 O7 C7 116.8(4) . . ?
C30 O30 C31 115.7(4) . . ?
C5 N1 C1 118.6(5) . . ?
C5 N1 Cu1 122.1(4) . . ?
C1 N1 Cu1 118.2(4) . . ?
C8 N2 C12 118.9(5) . . ?
C8 N2 Cu1 120.4(4) . . ?
C12 N2 Cu1 118.7(4) . . ?
C19 N3 C20 119.5(5) . . ?
C19 N3 Cu2 124.2(4) . . ?
C20 N3 Cu2 116.1(4) . . ?
C23 N4 C22 120.1(5) . . ?
C23 N4 Cu2 124.8(4) . . ?
C22 N4 Cu2 115.1(4) . . ?
C32 N5 C36 119.3(5) . . ?
C32 N5 Cu1 122.1(4) . . ?
C36 N5 Cu1 116.4(4) . . ?
C41 N6 C37 118.7(5) . . ?
C41 N6 Cu1 123.8(4) . . ?
C37 N6 Cu1 117.3(4) . . ?
C42 N42 Cu2 141.6(8) . . ?
N1 C1 C2 122.6(6) . . ?
C1 C2 C3 119.0(6) . . ?
C2 C3 C4 118.4(6) . . ?
C5 C4 C3 120.1(6) . . ?
N1 C5 C4 121.3(5) . . ?
N1 C5 C6 121.9(5) . . ?
C4 C5 C6 116.8(5) . . ?
O7 C6 C13 105.3(4) . . ?
O7 C6 C8 108.5(4) . . ?
C13 C6 C8 106.8(4) . . ?
O7 C6 C5 107.4(4) . . ?
C13 C6 C5 109.7(4) . . ?
C8 C6 C5 118.4(5) . . ?
N2 C8 C9 121.0(5) . . ?
N2 C8 C6 120.7(5) . . ?
C9 C8 C6 118.3(5) . . ?
C10 C9 C8 120.3(6) . . ?
C9 C10 C11 119.2(6) . . ?
C10 C11 C12 118.5(6) . . ?
N2 C12 C11 122.1(6) . . ?
C18 C13 C14 120.0(5) . . ?
C18 C13 C6 117.2(5) . . ?
C14 C13 C6 122.7(5) . . ?
O1 C14 C13 123.1(5) . . ?
O1 C14 C15 120.2(5) . . ?
C13 C14 C15 116.7(5) . . ?
C16 C15 C14 120.3(6) . . ?
C16 C15 C19 116.4(6) . . ?
C14 C15 C19 123.3(6) . . ?
C17 C16 C15 121.6(6) . . ?
C16 C17 C18 118.8(6) . . ?
C17 C18 C13 122.4(6) . . ?
N3 C19 C15 125.7(6) . . ?
N3 C20 C21 112.9(5) . . ?
C20 C21 C22 114.5(5) . . ?
N4 C22 C21 110.8(6) . . ?
N4 C23 C24 126.1(6) . . ?
C29 C24 C23 117.6(5) . . ?
C29 C24 C25 119.2(6) . . ?
C23 C24 C25 123.0(6) . . ?
O2 C25 C26 120.7(5) . . ?
O2 C25 C24 121.8(5) . . ?
C26 C25 C24 117.4(5) . . ?
C25 C26 C27 120.9(5) . . ?
C25 C26 C30 120.5(5) . . ?
C27 C26 C30 118.7(5) . . ?
C28 C27 C26 120.4(6) . . ?
C29 C28 C27 118.8(6) . . ?
C28 C29 C24 122.6(6) . . ?
O30 C30 C26 105.7(4) . . ?
O30 C30 C41 107.0(4) . . ?
C26 C30 C41 109.6(4) . . ?
O30 C30 C32 106.4(4) . . ?
C26 C30 C32 108.7(4) . . ?
C41 C30 C32 118.6(4) . . ?
N5 C32 C33 121.1(5) . . ?
N5 C32 C30 123.4(5) . . ?
C33 C32 C30 115.4(5) . . ?
C32 C33 C34 119.0(6) . . ?
C35 C34 C33 119.7(7) . . ?
C34 C35 C36 118.7(6) . . ?
N5 C36 C35 122.2(6) . . ?
N6 C37 C38 121.8(5) . . ?
C39 C38 C37 119.4(6) . . ?
C38 C39 C40 118.4(6) . . ?
C41 C40 C39 121.0(6) . . ?
N6 C41 C40 120.6(5) . . ?
N6 C41 C30 121.0(5) . . ?
C40 C41 C30 118.4(5) . . ?
N42 C42 C43 174.7(11) . . ?
F3 P1 F1 179.6(2) . . ?
F3 P1 F6 90.0(2) . . ?
F1 P1 F6 90.2(2) . . ?
F3 P1 F2 89.75(19) . . ?
F1 P1 F2 90.6(2) . . ?
F6 P1 F2 90.0(2) . . ?
F3 P1 F5 89.8(2) . . ?
F1 P1 F5 90.1(2) . . ?
F6 P1 F5 179.7(3) . . ?
F2 P1 F5 89.98(19) . . ?
F3 P1 F4 90.20(19) . . ?
F1 P1 F4 89.5(2) . . ?
F6 P1 F4 89.6(2) . . ?
F2 P1 F4 179.6(2) . . ?
F5 P1 F4 90.47(19) . . ?
F7 P2 F9 178.2(3) . . ?
F7 P2 F11 90.9(4) . . ?
F9 P2 F11 90.7(4) . . ?
F7 P2 F12 89.2(3) . . ?
F9 P2 F12 89.2(3) . . ?
F11 P2 F12 179.2(3) . . ?
F7 P2 F10 89.2(3) . . ?
F9 P2 F10 91.9(3) . . ?
F11 P2 F10 89.0(2) . . ?
F12 P2 F10 91.9(2) . . ?
F7 P2 F8 91.0(3) . . ?
F9 P2 F8 88.0(3) . . ?
F11 P2 F8 90.4(2) . . ?
F12 P2 F8 88.8(2) . . ?
F10 P2 F8 179.3(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N1 1.981(4) . ?
Cu1 N5 1.987(5) . ?
Cu1 N6 2.033(4) . ?
Cu1 N2 2.120(4) . ?
Cu1 O1 2.137(4) . ?
Cu1 O2 2.418(4) . ?
Cu2 O2 1.925(4) . ?
Cu2 N4 1.951(5) . ?
Cu2 N3 1.959(5) . ?
Cu2 O1 1.970(3) . ?
Cu2 N42 2.388(7) . ?
O1 C14 1.324(6) . ?
O2 C25 1.333(6) . ?
O7 C6 1.418(6) . ?
O7 C7 1.439(6) . ?
O30 C30 1.430(6) . ?
O30 C31 1.433(7) . ?
N1 C5 1.339(7) . ?
N1 C1 1.365(6) . ?
N2 C8 1.323(7) . ?
N2 C12 1.352(7) . ?
N3 C19 1.264(7) . ?
N3 C20 1.485(7) . ?
N4 C23 1.287(7) . ?
N4 C22 1.479(8) . ?
N5 C32 1.333(7) . ?
N5 C36 1.350(7) . ?
N6 C41 1.346(7) . ?
N6 C37 1.373(7) . ?
N42 C42 1.136(11) . ?
C1 C2 1.367(8) . ?
C2 C3 1.386(9) . ?
C3 C4 1.391(8) . ?
C4 C5 1.381(8) . ?
C5 C6 1.570(7) . ?
C6 C13 1.546(7) . ?
C6 C8 1.548(7) . ?
C8 C9 1.385(7) . ?
C9 C10 1.363(8) . ?
C10 C11 1.365(8) . ?
C11 C12 1.384(8) . ?
C13 C18 1.386(8) . ?
C13 C14 1.432(8) . ?
C14 C15 1.439(7) . ?
C15 C16 1.391(8) . ?
C15 C19 1.452(8) . ?
C16 C17 1.378(9) . ?
C17 C18 1.382(8) . ?
C20 C21 1.522(9) . ?
C21 C22 1.539(8) . ?
C23 C24 1.429(8) . ?
C24 C29 1.391(8) . ?
C24 C25 1.447(8) . ?
C25 C26 1.393(8) . ?
C26 C27 1.406(7) . ?
C26 C30 1.535(7) . ?
C27 C28 1.405(8) . ?
C28 C29 1.361(8) . ?
C30 C41 1.540(7) . ?
C30 C32 1.543(7) . ?
C32 C33 1.392(8) . ?
C33 C34 1.394(8) . ?
C34 C35 1.358(10) . ?
C35 C36 1.387(8) . ?
C37 C38 1.375(8) . ?
C38 C39 1.373(8) . ?
C39 C40 1.382(7) . ?
C40 C41 1.379(7) . ?
C42 C43 1.503(14) . ?
P1 F3 1.595(4) . ?
P1 F1 1.597(4) . ?
P1 F6 1.599(4) . ?
P1 F2 1.603(3) . ?
P1 F5 1.603(4) . ?
P1 F4 1.611(3) . ?
P2 F7 1.545(5) . ?
P2 F9 1.546(5) . ?
P2 F11 1.558(4) . ?
P2 F12 1.564(4) . ?
P2 F10 1.579(4) . ?
P2 F8 1.586(4) . ?
