#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:07:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180491 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/60/7216094.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_7216094
loop_
_publ_author_name
'Yucesan, Gundog'
'Yu, Ming Hui'
'Ouellette, Wayne'
'O'Connor, Charles J.'
'Zubieta, Jon'
_publ_section_title
;
 Secondary metal--ligand cationic subunits {ML}n+ as structural
 determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where
 {ML} is a Cu2+/organonitrogen moiety
;
_journal_issue                   80
_journal_name_full               CrystEngComm
_journal_page_first              480
_journal_paper_doi               10.1039/b506250k
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'C48 H38 Cu2 N4 O15 P4 V2'
_chemical_formula_weight         1263.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                101.657(2)
_cell_angle_beta                 93.949(2)
_cell_angle_gamma                110.477(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7559(9)
_cell_length_b                   13.8997(13)
_cell_length_c                   19.7171(18)
_cell_measurement_temperature    91(2)
_cell_volume                     2424.6(4)
_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      91(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'APEX 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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0682
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            31638
_diffrn_reflns_theta_full        32.92
_diffrn_reflns_theta_max         32.92
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.9312
_exptl_absorpt_correction_T_min  0.5315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.381
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         16286
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0659
_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)+(0.0245P)²+24.5342P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1846
_refine_ls_wR_factor_ref         0.1885
_reflns_number_gt                14140
_reflns_number_total             16286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b506250k.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216094
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
Cu1 Cu 0.07132(5) 0.48511(4) 0.08206(3) 0.00881(10) Uani 1 1 d .
Cu2 Cu 0.56349(5) 0.37959(4) 0.39430(3) 0.00945(10) Uani 1 1 d .
V1 V 0.21581(7) 0.48405(5) 0.24060(4) 0.00831(12) Uani 1 1 d .
V2 V 0.71256(7) 0.47508(5) 0.26240(4) 0.00813(12) Uani 1 1 d .
P1 P 0.03604(11) 0.62859(8) 0.22461(5) 0.00798(17) Uani 1 1 d .
P2 P 0.53340(11) 0.58613(8) 0.35292(5) 0.00816(17) Uani 1 1 d .
P3 P 0.36733(11) 0.31873(8) 0.25379(5) 0.00785(17) Uani 1 1 d .
P4 P 0.87307(11) 0.34707(8) 0.16687(5) 0.00747(17) Uani 1 1 d .
O1 O -0.1106(3) 0.5863(2) 0.25162(17) 0.0125(5) Uani 1 1 d .
O2 O 0.0239(3) 0.5912(3) 0.14529(16) 0.0128(5) Uani 1 1 d .
O3 O 0.1620(3) 0.6101(2) 0.26413(16) 0.0110(5) Uani 1 1 d .
O4 O 0.2575(3) 0.4849(3) 0.16325(16) 0.0122(5) Uani 1 1 d .
O5 O 0.2391(3) 0.3570(2) 0.26009(16) 0.0105(5) Uani 1 1 d .
O6 O 0.3889(3) 0.5722(2) 0.31012(16) 0.0110(5) Uani 1 1 d .
O7 O 0.5192(3) 0.5053(2) 0.39633(16) 0.0114(5) Uani 1 1 d .
O8 O 0.6586(3) 0.5960(2) 0.30851(16) 0.0096(5) Uani 1 1 d .
O9 O 0.4082(3) 0.2864(2) 0.31939(17) 0.0135(6) Uani 1 1 d .
O10 O 0.5006(3) 0.3982(2) 0.23327(16) 0.0108(5) Uani 1 1 d .
O11 O 0.7515(3) 0.4323(3) 0.32825(16) 0.0122(5) Uani 1 1 d .
O12 O 0.7403(3) 0.3773(2) 0.18241(16) 0.0112(5) Uani 1 1 d .
O13 O 1.0029(3) 0.4019(2) 0.22660(16) 0.0110(5) Uani 1 1 d .
O14 O 0.9166(3) 0.3618(2) 0.09600(16) 0.0115(5) Uani 1 1 d .
O90 O 0.5627(7) 0.7475(4) 0.2358(3) 0.0440(12) Uani 1 1 d .
N1 N 0.6215(4) 0.2564(3) 0.40271(19) 0.0125(6) Uani 1 1 d .
N2 N 0.7050(4) 0.4474(3) 0.48434(18) 0.0118(6) Uani 1 1 d .
N3 N 0.2199(4) 0.5977(3) 0.04664(18) 0.0108(6) Uani 1 1 d .
N4 N 0.1251(4) 0.3911(3) 0.00487(19) 0.0109(6) Uani 1 1 d .
C1 C 0.5701(5) 0.1596(4) 0.3621(3) 0.0174(8) Uani 1 1 d .
H1 H 0.4916 0.1409 0.3247 0.021 Uiso 1 1 calc R
C2 C 0.6277(5) 0.0830(4) 0.3723(3) 0.0188(8) Uani 1 1 d .
H2 H 0.5882 0.0139 0.3422 0.023 Uiso 1 1 calc R
C3 C 0.7410(5) 0.1087(4) 0.4259(3) 0.0190(9) Uani 1 1 d .
H3 H 0.7818 0.0580 0.4327 0.023 Uiso 1 1 calc R
C4 C 0.7967(5) 0.2112(4) 0.4708(2) 0.0155(8) Uani 1 1 d .
C5 C 0.9086(5) 0.2455(4) 0.5314(3) 0.0200(9) Uani 1 1 d .
H5 H 0.9526 0.1981 0.5419 0.024 Uiso 1 1 calc R
C6 C 0.9527(5) 0.3450(4) 0.5740(3) 0.0197(9) Uani 1 1 d .
H6 H 1.0272 0.3658 0.6136 0.024 Uiso 1 1 calc R
C7 C 0.8878(5) 0.4182(4) 0.5599(2) 0.0155(8) Uani 1 1 d .
C8 C 0.9229(5) 0.5207(4) 0.6026(2) 0.0179(8) Uani 1 1 d .
H8 H 0.9980 0.5470 0.6424 0.021 Uiso 1 1 calc R
C9 C 0.8480(5) 0.5823(4) 0.5865(2) 0.0166(8) Uani 1 1 d .
H9 H 0.8697 0.6510 0.6154 0.020 Uiso 1 1 calc R
C10 C 0.7385(5) 0.5429(4) 0.5265(2) 0.0138(7) Uani 1 1 d .
H10 H 0.6868 0.5859 0.5159 0.017 Uiso 1 1 calc R
C11 C 0.7779(5) 0.3859(4) 0.5010(2) 0.0126(7) Uani 1 1 d .
C12 C 0.7325(5) 0.2823(4) 0.4569(2) 0.0133(7) Uani 1 1 d .
C13 C 0.8130(4) 0.2072(3) 0.1633(2) 0.0116(7) Uani 1 1 d .
C14 C 0.8258(6) 0.1745(4) 0.2251(3) 0.0187(8) Uani 1 1 d .
H14 H 0.8663 0.2259 0.2683 0.022 Uiso 1 1 calc R
C15 C 0.7799(7) 0.0676(4) 0.2240(3) 0.0261(11) Uani 1 1 d .
H15 H 0.7896 0.0462 0.2664 0.031 Uiso 1 1 calc R
C16 C 0.7198(6) -0.0082(4) 0.1611(3) 0.0238(10) Uani 1 1 d .
H16 H 0.6879 -0.0813 0.1603 0.029 Uiso 1 1 calc R
C17 C 0.7066(5) 0.0237(4) 0.0994(3) 0.0201(9) Uani 1 1 d .
H17 H 0.6655 -0.0279 0.0563 0.024 Uiso 1 1 calc R
C18 C 0.7532(5) 0.1303(3) 0.1005(2) 0.0149(8) Uani 1 1 d .
H18 H 0.7443 0.1513 0.0579 0.018 Uiso 1 1 calc R
C19 C 0.5849(4) 0.7133(3) 0.4143(2) 0.0109(7) Uani 1 1 d .
C20 C 0.4920(5) 0.7707(3) 0.4173(2) 0.0154(8) Uani 1 1 d .
H20 H 0.4018 0.7442 0.3858 0.018 Uiso 1 1 calc R
C21 C 0.5323(6) 0.8671(4) 0.4668(3) 0.0197(9) Uani 1 1 d .
H21 H 0.4694 0.9062 0.4685 0.024 Uiso 1 1 calc R
C22 C 0.6621(6) 0.9059(4) 0.5132(3) 0.0235(10) Uani 1 1 d .
H22 H 0.6868 0.9706 0.5475 0.028 Uiso 1 1 calc R
C23 C 0.7570(6) 0.8510(4) 0.5101(3) 0.0240(10) Uani 1 1 d .
H23 H 0.8473 0.8783 0.5417 0.029 Uiso 1 1 calc R
C24 C 0.7189(5) 0.7552(4) 0.4600(3) 0.0181(8) Uani 1 1 d .
H24 H 0.7847 0.7183 0.4571 0.022 Uiso 1 1 calc R
C25 C 0.3036(4) 0.2019(3) 0.1827(2) 0.0104(7) Uani 1 1 d .
C26 C 0.4033(5) 0.1555(3) 0.1586(2) 0.0135(7) Uani 1 1 d .
H26 H 0.5045 0.1862 0.1793 0.016 Uiso 1 1 calc R
C27 C 0.3537(5) 0.0643(4) 0.1044(3) 0.0183(8) Uani 1 1 d .
H27 H 0.4211 0.0324 0.0885 0.022 Uiso 1 1 calc R
C28 C 0.2060(6) 0.0195(4) 0.0733(3) 0.0209(9) Uani 1 1 d .
H28 H 0.1724 -0.0432 0.0367 0.025 Uiso 1 1 calc R
C29 C 0.1070(5) 0.0668(4) 0.0961(3) 0.0213(9) Uani 1 1 d .
H29 H 0.0064 0.0369 0.0745 0.026 Uiso 1 1 calc R
C30 C 0.1560(5) 0.1581(4) 0.1506(2) 0.0165(8) Uani 1 1 d .
H30 H 0.0888 0.1905 0.1659 0.020 Uiso 1 1 calc R
C31 C 0.0846(5) 0.7700(3) 0.2467(2) 0.0123(7) Uani 1 1 d .
C32 C 0.2229(6) 0.8379(4) 0.2373(3) 0.0224(10) Uani 1 1 d .
H32 H 0.2932 0.8096 0.2205 0.027 Uiso 1 1 calc R
C33 C 0.2577(8) 0.9465(4) 0.2523(3) 0.0345(14) Uani 1 1 d .
H33 H 0.3503 0.9920 0.2441 0.041 Uiso 1 1 calc R
C34 C 0.1581(9) 0.9888(5) 0.2791(4) 0.0414(17) Uani 1 1 d .
H34 H 0.1822 1.0631 0.2888 0.050 Uiso 1 1 calc R
C35 C 0.0240(8) 0.9236(5) 0.2917(4) 0.0395(16) Uani 1 1 d .
H35 H -0.0420 0.9533 0.3122 0.047 Uiso 1 1 calc R
C36 C -0.0149(6) 0.8133(4) 0.2745(3) 0.0239(10) Uani 1 1 d .
H36 H -0.1087 0.7683 0.2817 0.029 Uiso 1 1 calc R
C37 C 0.2646(5) 0.7022(3) 0.0697(2) 0.0139(7) Uani 1 1 d .
H37 H 0.2140 0.7306 0.1028 0.017 Uiso 1 1 calc R
C38 C 0.3840(5) 0.7716(4) 0.0466(3) 0.0172(8) Uani 1 1 d .
H38 H 0.4147 0.8458 0.0647 0.021 Uiso 1 1 calc R
C39 C 0.4567(5) 0.7322(4) -0.0024(3) 0.0169(8) Uani 1 1 d .
H39 H 0.5375 0.7789 -0.0185 0.020 Uiso 1 1 calc R
C40 C 0.4105(5) 0.6221(4) -0.0285(2) 0.0137(7) Uani 1 1 d .
C41 C 0.4777(5) 0.5717(4) -0.0798(2) 0.0156(8) Uani 1 1 d .
H41 H 0.5601 0.6139 -0.0975 0.019 Uiso 1 1 calc R
C42 C 0.4251(5) 0.4652(4) -0.1033(2) 0.0148(8) Uani 1 1 d .
H42 H 0.4704 0.4337 -0.1376 0.018 Uiso 1 1 calc R
C43 C 0.3019(5) 0.3988(3) -0.0771(2) 0.0131(7) Uani 1 1 d .
C44 C 0.2403(5) 0.2872(4) -0.0995(3) 0.0179(8) Uani 1 1 d .
H44 H 0.2781 0.2510 -0.1350 0.022 Uiso 1 1 calc R
C45 C 0.1252(6) 0.2318(4) -0.0693(3) 0.0196(9) Uani 1 1 d .
H45 H 0.0823 0.1567 -0.0842 0.024 Uiso 1 1 calc R
C46 C 0.0707(5) 0.2860(4) -0.0164(2) 0.0172(8) Uani 1 1 d .
H46 H -0.0074 0.2464 0.0048 0.021 Uiso 1 1 calc R
C47 C 0.2381(4) 0.4463(3) -0.0256(2) 0.0106(7) Uani 1 1 d .
C48 C 0.2912(4) 0.5590(3) -0.0018(2) 0.0103(7) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
O14 Cu1 O2 97.63(13) 1_455 .
O14 Cu1 N3 168.20(14) 1_455 .
O2 Cu1 N3 90.89(14) . .
O14 Cu1 N4 89.53(13) 1_455 .
O2 Cu1 N4 170.19(14) . .
N3 Cu1 N4 81.12(15) . .
O14 Cu1 O4 96.64(12) 1_455 .
O2 Cu1 O4 94.66(12) . .
N3 Cu1 O4 90.76(13) . .
N4 Cu1 O4 91.15(13) . .
O9 Cu2 O7 96.88(13) . .
O9 Cu2 N2 165.68(14) . .
O7 Cu2 N2 92.44(14) . .
O9 Cu2 N1 88.93(14) . .
O7 Cu2 N1 173.83(14) . .
N2 Cu2 N1 81.46(15) . .
O9 Cu2 O11 98.47(12) . .
O7 Cu2 O11 92.10(12) . .
N2 Cu2 O11 91.99(13) . .
N1 Cu2 O11 89.06(13) . .
O4 V1 O6 109.77(15) . .
O4 V1 O13 105.27(14) . 1_455
O6 V1 O13 144.69(13) . 1_455
O4 V1 O5 104.61(15) . .
O6 V1 O5 89.69(13) . .
O13 V1 O5 85.58(13) 1_455 .
O4 V1 O3 102.30(15) . .
O6 V1 O3 82.82(13) . .
O13 V1 O3 85.76(13) 1_455 .
O5 V1 O3 153.03(13) . .
O11 V2 O1 108.12(15) . 1_655
O11 V2 O10 104.31(15) . .
O1 V2 O10 147.26(14) 1_655 .
O11 V2 O12 103.12(15) . .
O1 V2 O12 90.00(13) 1_655 .
O10 V2 O12 86.94(13) . .
O11 V2 O8 101.84(15) . .
O1 V2 O8 83.44(13) 1_655 .
O10 V2 O8 85.73(12) . .
O12 V2 O8 155.01(13) . .
O1 P1 O2 113.35(18) . .
O1 P1 O3 113.10(18) . .
O2 P1 O3 112.06(17) . .
O1 P1 C31 103.77(19) . .
O2 P1 C31 108.39(19) . .
O3 P1 C31 105.38(18) . .
O7 P2 O6 114.40(17) . .
O7 P2 O8 112.40(17) . .
O6 P2 O8 112.24(17) . .
O7 P2 C19 106.58(18) . .
O6 P2 C19 104.11(18) . .
O8 P2 C19 106.22(18) . .
O10 P3 O9 112.30(17) . .
O10 P3 O5 112.19(17) . .
O9 P3 O5 111.94(18) . .
O10 P3 C25 106.27(18) . .
O9 P3 C25 107.17(19) . .
O5 P3 C25 106.49(18) . .
O14 P4 O13 112.90(17) . .
O14 P4 O12 112.51(17) . .
O13 P4 O12 111.90(17) . .
O14 P4 C13 107.33(19) . .
O13 P4 C13 106.01(19) . .
O12 P4 C13 105.59(18) . .
P1 O1 V2 153.7(2) . 1_455
P1 O2 Cu1 135.9(2) . .
P1 O3 V1 126.32(18) . .
V1 O4 Cu1 114.69(15) . .
P3 O5 V1 130.79(18) . .
P2 O6 V1 149.9(2) . .
P2 O7 Cu2 139.05(19) . .
P2 O8 V2 124.49(17) . .
P3 O9 Cu2 123.28(19) . .
P3 O10 V2 141.3(2) . .
V2 O11 Cu2 115.83(16) . .
P4 O12 V2 131.54(19) . .
P4 O13 V1 139.17(19) . 1_655
P4 O14 Cu1 124.48(18) . 1_655
C1 N1 C12 118.7(4) . .
C1 N1 Cu2 128.6(3) . .
C12 N1 Cu2 112.6(3) . .
C10 N2 C11 118.1(4) . .
C10 N2 Cu2 128.9(3) . .
C11 N2 Cu2 112.9(3) . .
C37 N3 C48 118.1(4) . .
C37 N3 Cu1 128.1(3) . .
C48 N3 Cu1 113.4(3) . .
C46 N4 C47 118.0(4) . .
C46 N4 Cu1 129.0(3) . .
C47 N4 Cu1 112.8(3) . .
N1 C1 C2 122.2(4) . .
C3 C2 C1 119.6(5) . .
C2 C3 C4 119.5(4) . .
C12 C4 C3 117.0(4) . .
C12 C4 C5 118.3(4) . .
C3 C4 C5 124.7(4) . .
C6 C5 C4 121.2(4) . .
C5 C6 C7 120.8(4) . .
C11 C7 C8 116.9(4) . .
C11 C7 C6 118.7(4) . .
C8 C7 C6 124.3(4) . .
C9 C8 C7 119.6(4) . .
C8 C9 C10 119.5(4) . .
N2 C10 C9 122.3(4) . .
N2 C11 C7 123.5(4) . .
N2 C11 C12 116.2(4) . .
C7 C11 C12 120.2(4) . .
N1 C12 C4 123.0(4) . .
N1 C12 C11 116.2(4) . .
C4 C12 C11 120.8(4) . .
C18 C13 C14 118.6(4) . .
C18 C13 P4 122.0(3) . .
C14 C13 P4 119.4(3) . .
C15 C14 C13 120.7(5) . .
C14 C15 C16 120.1(5) . .
C17 C16 C15 119.6(4) . .
C18 C17 C16 120.3(5) . .
C17 C18 C13 120.7(4) . .
C24 C19 C20 119.0(4) . .
C24 C19 P2 119.9(3) . .
C20 C19 P2 121.0(3) . .
C21 C20 C19 119.8(4) . .
C22 C21 C20 120.8(5) . .
C21 C22 C23 120.2(4) . .
C22 C23 C24 119.5(5) . .
C19 C24 C23 120.6(5) . .
C30 C25 C26 119.7(4) . .
C30 C25 P3 120.5(3) . .
C26 C25 P3 119.8(3) . .
C27 C26 C25 119.9(4) . .
C26 C27 C28 120.4(4) . .
C27 C28 C29 119.9(4) . .
C30 C29 C28 119.9(4) . .
C29 C30 C25 120.2(4) . .
C36 C31 C32 119.1(4) . .
C36 C31 P1 120.3(4) . .
C32 C31 P1 120.7(4) . .
C33 C32 C31 120.3(6) . .
C34 C33 C32 120.3(6) . .
C35 C34 C33 120.3(5) . .
C34 C35 C36 120.0(6) . .
C31 C36 C35 119.9(5) . .
N3 C37 C38 121.9(4) . .
C39 C38 C37 119.9(4) . .
C38 C39 C40 119.4(4) . .
C48 C40 C39 116.6(4) . .
C48 C40 C41 119.0(4) . .
C39 C40 C41 124.4(4) . .
C42 C41 C40 120.9(4) . .
C41 C42 C43 121.2(4) . .
C47 C43 C44 117.0(4) . .
C47 C43 C42 118.7(4) . .
C44 C43 C42 124.3(4) . .
C45 C44 C43 119.2(4) . .
C44 C45 C46 120.0(4) . .
N4 C46 C45 122.1(4) . .
N4 C47 C43 123.7(4) . .
N4 C47 C48 116.0(4) . .
C43 C47 C48 120.3(4) . .
N3 C48 C40 124.0(4) . .
N3 C48 C47 116.1(4) . .
C40 C48 C47 119.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O14 1.931(3) 1_455
Cu1 O2 1.939(3) .
Cu1 N3 2.008(4) .
Cu1 N4 2.021(4) .
Cu1 O4 2.338(3) .
Cu2 O9 1.924(3) .
Cu2 O7 1.935(3) .
Cu2 N2 2.006(4) .
Cu2 N1 2.015(4) .
Cu2 O11 2.318(3) .
V1 O4 1.606(3) .
V1 O6 1.946(3) .
V1 O13 1.957(3) 1_455
V1 O5 1.965(3) .
V1 O3 1.978(3) .
V2 O11 1.608(3) .
V2 O1 1.931(3) 1_655
V2 O10 1.947(3) .
V2 O12 1.964(3) .
V2 O8 1.999(3) .
P1 O1 1.523(3) .
P1 O2 1.527(3) .
P1 O3 1.533(3) .
P1 C31 1.803(4) .
P2 O7 1.519(3) .
P2 O6 1.522(3) .
P2 O8 1.535(3) .
P2 C19 1.809(4) .
P3 O10 1.524(3) .
P3 O9 1.524(3) .
P3 O5 1.524(3) .
P3 C25 1.800(4) .
P4 O14 1.520(3) .
P4 O13 1.526(3) .
P4 O12 1.527(3) .
P4 C13 1.808(4) .
O1 V2 1.931(3) 1_455
O13 V1 1.957(3) 1_655
O14 Cu1 1.931(3) 1_655
N1 C1 1.320(6) .
N1 C12 1.362(5) .
N2 C10 1.331(6) .
N2 C11 1.361(6) .
N3 C37 1.330(6) .
N3 C48 1.353(5) .
N4 C46 1.330(6) .
N4 C47 1.360(5) .
C1 C2 1.406(6) .
C2 C3 1.369(7) .
C3 C4 1.412(7) .
C4 C12 1.401(6) .
C4 C5 1.439(6) .
C5 C6 1.367(8) .
C6 C7 1.434(7) .
C7 C11 1.407(6) .
C7 C8 1.411(7) .
C8 C9 1.373(7) .
C9 C10 1.412(6) .
C11 C12 1.422(6) .
C13 C18 1.396(6) .
C13 C14 1.396(6) .
C14 C15 1.389(7) .
C15 C16 1.390(8) .
C16 C17 1.389(8) .
C17 C18 1.385(6) .
C19 C24 1.397(6) .
C19 C20 1.398(6) .
C20 C21 1.397(6) .
C21 C22 1.376(8) .
C22 C23 1.389(8) .
C23 C24 1.399(7) .
C25 C30 1.396(6) .
C25 C26 1.403(6) .
C26 C27 1.391(6) .
C27 C28 1.392(7) .
C28 C29 1.397(7) .
C29 C30 1.395(6) .
C31 C36 1.398(7) .
C31 C32 1.400(6) .
C32 C33 1.389(7) .
C33 C34 1.383(11) .
C34 C35 1.379(11) .
C35 C36 1.405(8) .
C37 C38 1.400(6) .
C38 C39 1.374(7) .
C39 C40 1.406(6) .
C40 C48 1.399(6) .
C40 C41 1.439(6) .
C41 C42 1.352(7) .
C42 C43 1.437(6) .
C43 C47 1.400(6) .
C43 C44 1.413(6) .
C44 C45 1.371(7) .
C45 C46 1.408(7) .
C47 C48 1.430(6) .
