#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/41/7014116.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_7014116
loop_
_publ_author_name
'Ouellette, Wayne'
'Koo, Bon-Kweon'
'Burkholder, Eric'
'Golub, Vladimir'
'O'Connor, C J'
'Zubieta, Jon'
_publ_section_title
;
 Solid state coordination chemistry: structural consequences of
 variations in tether length in the
 oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy
 = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1527
_journal_page_last               1538
_journal_paper_doi               10.1039/b401669f
_journal_year                    2004
_chemical_formula_sum            'C25 H37.3 Cu N3 O17.65 P4 V2'
_chemical_formula_weight         951.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                101.338(1)
_cell_angle_beta                 91.457(1)
_cell_angle_gamma                94.363(1)
_cell_formula_units_Z            2
_cell_length_a                   10.5197(5)
_cell_length_b                   12.5297(6)
_cell_length_c                   13.9836(6)
_cell_measurement_reflns_used    23632
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.51
_cell_measurement_theta_min      1.49
_cell_volume                     1800.41(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL and CrystalMaker 5.x'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'APEX CCD area detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23632
_diffrn_reflns_theta_full        31.51
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_min         1.49
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    1.351
_exptl_absorpt_correction_T_max  0.8767
_exptl_absorpt_correction_T_min  0.7288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (SHELDRICK, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             969
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.415
_refine_diff_density_min         -1.232
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         11776
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0711P)²+1.1179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1578
_reflns_number_gt                8294
_reflns_number_total             11776
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401669f.txt
_cod_data_source_block           Compound_6
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C25 H37.30 Cu N3 O17.65 P4 V2'
_cod_database_code               7014116
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.15783(4) 0.59713(3) -0.00323(3) 0.01454(10) Uani 1 1 d . . .
V1 V 0.56347(6) 0.42415(4) 0.14048(4) 0.01273(12) Uani 1 1 d . . .
V2 V 0.40325(7) 0.31012(5) 0.45339(5) 0.02328(15) Uani 1 1 d . . .
P1 P 0.31981(9) 0.40046(7) -0.02629(6) 0.01355(17) Uani 1 1 d . . .
P2 P 0.61742(10) 0.47174(8) 0.37907(7) 0.0201(2) Uani 1 1 d . . .
P3 P 0.43716(9) 0.20440(7) 0.21695(6) 0.01327(17) Uani 1 1 d . . .
P4 P 0.15895(10) 0.13029(8) 0.40107(8) 0.0216(2) Uani 1 1 d . . .
O1 O 0.1948(2) 0.45207(19) 0.00084(18) 0.0167(5) Uani 1 1 d . . .
O2 O 0.4186(2) 0.43606(19) 0.05746(17) 0.0170(5) Uani 1 1 d . . .
O3 O 0.6307(2) 0.57143(18) 0.12151(17) 0.0156(5) Uani 1 1 d . . .
O4 O 0.6181(3) 0.4855(2) 0.27376(18) 0.0229(6) Uani 1 1 d . . .
O5 O 0.4523(2) 0.31389(18) 0.18814(17) 0.0166(5) Uani 1 1 d . . .
O6 O 0.4864(3) 0.4296(2) 0.40537(19) 0.0252(6) Uani 1 1 d . . .
O7 O 0.3054(2) 0.1449(2) 0.17443(18) 0.0195(5) Uani 1 1 d . . .
O8 O 0.4432(2) 0.20987(19) 0.32659(17) 0.0174(5) Uani 1 1 d . . .
O9 O 0.3324(3) 0.4209(2) 0.5555(2) 0.0334(7) Uani 1 1 d . . .
O10 O 0.4902(3) 0.2547(3) 0.5209(2) 0.0373(8) Uani 1 1 d . . .
O11 O 0.2302(3) 0.2418(2) 0.4383(2) 0.0315(7) Uani 1 1 d . . .
O12 O 0.2267(3) 0.0398(2) 0.4417(2) 0.0250(6) Uani 1 1 d . . .
O13 O 0.1463(3) 0.0972(2) 0.2920(2) 0.0232(6) Uani 1 1 d . . .
O14 O 0.6672(2) 0.35051(19) 0.08384(18) 0.0172(5) Uani 1 1 d . . .
O90 O 0.2660(4) 0.0740(3) 0.6279(2) 0.0464(9) Uani 1 1 d . . .
O91 O 0.5169(5) 0.0282(3) 0.4083(3) 0.0748(15) Uani 1 1 d . . .
O92 O 0.7434(3) 0.7081(2) 0.3002(2) 0.0358(7) Uani 1 1 d . . .
O93 O 0.9678(9) 0.7885(8) 0.2594(7) 0.051(2) Uani 0.40 1 d P . .
O94 O 0.9031(12) 0.9983(11) 0.2400(9) 0.037(3) Uani 0.25 1 d P . .
N1 N 0.0523(3) 0.5669(2) -0.1299(2) 0.0181(6) Uani 1 1 d . . .
N2 N 0.0901(3) 0.7373(2) 0.0030(2) 0.0141(5) Uani 1 1 d . . .
N3 N 0.2314(4) 0.6764(3) 0.1279(2) 0.0265(7) Uani 1 1 d . . .
C1 C 0.0363(4) 0.4721(3) -0.1945(3) 0.0294(9) Uani 1 1 d . . .
H1 H 0.0777 0.4113 -0.1817 0.035 Uiso 1 1 calc R . .
C2 C -0.0381(6) 0.4601(4) -0.2789(4) 0.062(2) Uani 1 1 d . . .
H2 H -0.0462 0.3926 -0.3244 0.075 Uiso 1 1 calc R . .
C3 C -0.1006(7) 0.5473(4) -0.2964(5) 0.073(2) Uani 1 1 d . . .
H3 H -0.1549 0.5397 -0.3531 0.087 Uiso 1 1 calc R . .
C4 C -0.0841(5) 0.6459(3) -0.2311(4) 0.0394(12) Uani 1 1 d . . .
H4 H -0.1254 0.7073 -0.2427 0.047 Uiso 1 1 calc R . .
C5 C -0.0062(3) 0.6534(3) -0.1486(3) 0.0190(7) Uani 1 1 d . . .
C6 C 0.0214(3) 0.7543(3) -0.0733(2) 0.0135(6) Uani 1 1 d . . .
C7 C -0.0143(3) 0.8579(3) -0.0773(3) 0.0160(6) Uani 1 1 d . . .
H7 H -0.0608 0.8699 -0.1328 0.019 Uiso 1 1 calc R . .
C8 C 0.0189(3) 0.9442(3) 0.0010(3) 0.0160(6) Uani 1 1 d . . .
C9 C 0.0878(4) 0.9221(3) 0.0803(3) 0.0256(9) Uani 1 1 d . . .
H9 H 0.1096 0.9786 0.1356 0.031 Uiso 1 1 calc R . .
C10 C 0.1244(4) 0.8181(3) 0.0784(3) 0.0206(7) Uani 1 1 d . . .
C11 C 0.2046(5) 0.7822(3) 0.1539(3) 0.0290(9) Uani 1 1 d . . .
C12 C 0.2480(6) 0.8470(4) 0.2409(3) 0.0440(14) Uani 1 1 d . . .
H12 H 0.2257 0.9202 0.2581 0.053 Uiso 1 1 calc R . .
C13 C 0.3254(6) 0.8038(4) 0.3037(3) 0.0550(17) Uani 1 1 d . . .
H13 H 0.3581 0.8476 0.3638 0.066 Uiso 1 1 calc R . .
C14 C 0.3539(6) 0.6965(4) 0.2772(3) 0.0501(16) Uani 1 1 d . . .
H14 H 0.4069 0.6655 0.3186 0.060 Uiso 1 1 calc R . .
C15 C 0.3040(5) 0.6351(4) 0.1896(3) 0.0393(12) Uani 1 1 d . . .
H15 H 0.3218 0.5607 0.1722 0.047 Uiso 1 1 calc R . .
C16 C 0.2850(3) 0.2554(3) -0.0478(3) 0.0165(6) Uani 1 1 d . . .
H16A H 0.2621 0.2342 0.0145 0.020 Uiso 1 1 calc R . .
H16B H 0.2099 0.2352 -0.0936 0.020 Uiso 1 1 calc R . .
C17 C 0.5573(4) 0.1214(3) 0.1599(3) 0.0194(7) Uani 1 1 d . . .
H17A H 0.5703 0.1376 0.0942 0.023 Uiso 1 1 calc R . .
H17B H 0.6386 0.1430 0.1985 0.023 Uiso 1 1 calc R . .
C18 C 0.5276(4) -0.0017(3) 0.1493(3) 0.0205(7) Uani 1 1 d . . .
H18A H 0.4484 -0.0247 0.1083 0.025 Uiso 1 1 calc R . .
H18B H 0.5123 -0.0186 0.2146 0.025 Uiso 1 1 calc R . .
C19 C 0.6356(4) -0.0672(3) 0.1035(3) 0.0226(8) Uani 1 1 d . . .
H19A H 0.6529 -0.0486 0.0392 0.027 Uiso 1 1 calc R . .
H19B H 0.7141 -0.0461 0.1456 0.027 Uiso 1 1 calc R . .
C20 C 0.6038(4) -0.1901(3) 0.0900(3) 0.0201(7) Uani 1 1 d . . .
H20A H 0.5275 -0.2118 0.0455 0.024 Uiso 1 1 calc R . .
H20B H 0.5830 -0.2085 0.1538 0.024 Uiso 1 1 calc R . .
C22A C -0.0526(8) 0.2405(6) 0.4443(6) 0.0319(19) Uani 0.580(7) 1 d PD . 1
H22A H 0.0085 0.3034 0.4730 0.038 Uiso 0.580(7) 1 calc PR . 1
H22B H -0.0672 0.2422 0.3744 0.038 Uiso 0.580(7) 1 calc PR . 1
C23A C -0.1758(7) 0.2523(6) 0.4944(5) 0.0290(17) Uani 0.580(7) 1 d PD . 1
H23A H -0.1623 0.2490 0.5640 0.035 Uiso 0.580(7) 1 calc PR . 1
H23B H -0.2384 0.1912 0.4643 0.035 Uiso 0.580(7) 1 calc PR . 1
C24A C -0.2282(7) 0.3601(5) 0.4866(5) 0.0242(15) Uani 0.580(7) 1 d PD . 1
H24A H -0.3052 0.3692 0.5257 0.029 Uiso 0.580(7) 1 calc PR . 1
H24B H -0.1638 0.4207 0.5145 0.029 Uiso 0.580(7) 1 calc PR . 1
C25A C -0.2624(10) 0.3673(9) 0.3821(6) 0.0221(19) Uani 0.580(7) 1 d PD . 1
H25A H -0.2986 0.2949 0.3459 0.026 Uiso 0.580(7) 1 calc PR . 1
H25B H -0.1844 0.3882 0.3496 0.026 Uiso 0.580(7) 1 calc PR . 1
C22B C -0.0851(11) 0.1993(8) 0.3999(9) 0.051(4) Uani 0.420(7) 1 d PD . 2
H22C H -0.0696 0.1834 0.3291 0.061 Uiso 0.420(7) 1 calc PR . 2
H22D H -0.1745 0.1732 0.4084 0.061 Uiso 0.420(7) 1 calc PR . 2
C23B C -0.0674(14) 0.3231(8) 0.4377(9) 0.056(4) Uani 0.420(7) 1 d PD . 2
H23C H -0.0808 0.3363 0.5087 0.068 Uiso 0.420(7) 1 calc PR . 2
H23D H 0.0230 0.3465 0.4297 0.068 Uiso 0.420(7) 1 calc PR . 2
C24B C -0.1487(11) 0.3997(12) 0.3946(10) 0.063(4) Uani 0.420(7) 1 d PD . 2
H24C H -0.1211 0.4764 0.4254 0.075 Uiso 0.420(7) 1 calc PR . 2
H24D H -0.1353 0.3905 0.3237 0.075 Uiso 0.420(7) 1 calc PR . 2
C25B C -0.2899(12) 0.3768(16) 0.4107(13) 0.038(4) Uani 0.420(7) 1 d PD . 2
H25C H -0.3010 0.3746 0.4804 0.045 Uiso 0.420(7) 1 calc PR . 2
H25D H -0.3198 0.3039 0.3718 0.045 Uiso 0.420(7) 1 calc PR . 2
C21 C 0.0055(4) 0.1355(4) 0.4528(4) 0.0410(12) Uani 1 1 d D . .
H21A H -0.0516 0.0723 0.4186 0.049 Uiso 1 1 calc R . 1
H21B H 0.0137 0.1306 0.5224 0.049 Uiso 1 1 calc R . 1
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
_geom_angle_publ_flag
O1 Cu1 N2 169.16(12) . . ?
O1 Cu1 N3 100.54(12) . . ?
N2 Cu1 N3 79.83(12) . . ?
O1 Cu1 N1 98.92(11) . . ?
N2 Cu1 N1 79.87(12) . . ?
N3 Cu1 N1 159.55(12) . . ?
O1 Cu1 O14 99.31(10) . 2_665 ?
N2 Cu1 O14 91.46(10) . 2_665 ?
N3 Cu1 O14 93.08(13) . 2_665 ?
N1 Cu1 O14 89.91(11) . 2_665 ?
O14 V1 O2 112.57(12) . . ?
O14 V1 O4 112.09(13) . . ?
O2 V1 O4 135.25(12) . . ?
O14 V1 O5 101.55(11) . . ?
O2 V1 O5 85.29(10) . . ?
O4 V1 O5 88.65(11) . . ?
O14 V1 O3 100.13(11) . . ?
O2 V1 O3 87.73(10) . . ?
O4 V1 O3 81.90(10) . . ?
O5 V1 O3 158.27(10) . . ?
O10 V2 O6 115.38(15) . . ?
O10 V2 O11 111.46(16) . . ?
O6 V2 O11 133.15(14) . . ?
O10 V2 O9 99.36(15) . . ?
O6 V2 O9 87.31(12) . . ?
O11 V2 O9 84.49(12) . . ?
O10 V2 O8 95.06(14) . . ?
O6 V2 O8 88.29(11) . . ?
O11 V2 O8 88.44(11) . . ?
O9 V2 O8 165.44(13) . . ?
O2 P1 O1 109.91(14) . . ?
O2 P1 O3 111.36(14) . 2_665 ?
O1 P1 O3 111.41(14) . 2_665 ?
O2 P1 C16 109.82(15) . . ?
O1 P1 C16 107.05(15) . . ?
O3 P1 C16 107.16(15) 2_665 . ?
O4 P2 O6 111.43(16) . . ?
O4 P2 O9 108.83(16) . 2_666 ?
O6 P2 O9 113.35(16) . 2_666 ?
O4 P2 C25B 117.2(6) . 1_655 ?
O6 P2 C25B 101.1(5) . 1_655 ?
O9 P2 C25B 104.8(7) 2_666 1_655 ?
O4 P2 C25A 102.6(3) . 1_655 ?
O6 P2 C25A 111.1(3) . 1_655 ?
O9 P2 C25A 109.0(3) 2_666 1_655 ?
C25B P2 C25A 14.9(5) 1_655 1_655 ?
O5 P3 O8 114.15(14) . . ?
O5 P3 O7 108.85(14) . . ?
O8 P3 O7 108.39(14) . . ?
O5 P3 C17 108.86(15) . . ?
O8 P3 C17 110.07(16) . . ?
O7 P3 C17 106.22(16) . . ?
O13 P4 O11 114.41(16) . . ?
O13 P4 O12 108.45(15) . . ?
O11 P4 O12 110.14(17) . . ?
O13 P4 C21 110.7(2) . . ?
O11 P4 C21 106.5(2) . . ?
O12 P4 C21 106.40(19) . . ?
P1 O1 Cu1 126.71(15) . . ?
P1 O2 V1 156.95(16) . . ?
P1 O3 V1 126.16(14) 2_665 . ?
P2 O4 V1 146.55(17) . . ?
P3 O5 V1 148.27(17) . . ?
P2 O6 V2 140.91(19) . . ?
P3 O8 V2 140.43(16) . . ?
P2 O9 V2 136.0(2) 2_666 . ?
P4 O11 V2 139.7(2) . . ?
V1 O14 Cu1 129.20(13) . 2_665 ?
C1 N1 C5 118.8(3) . . ?
C1 N1 Cu1 126.7(3) . . ?
C5 N1 Cu1 114.5(2) . . ?
C10 N2 C6 121.3(3) . . ?
C10 N2 Cu1 119.3(2) . . ?
C6 N2 Cu1 119.0(2) . . ?
C15 N3 C11 118.4(3) . . ?
C15 N3 Cu1 126.3(3) . . ?
C11 N3 Cu1 115.3(3) . . ?
N1 C1 C2 122.1(4) . . ?
C3 C2 C1 119.0(4) . . ?
C2 C3 C4 119.7(4) . . ?
C3 C4 C5 118.5(4) . . ?
N1 C5 C4 121.8(3) . . ?
N1 C5 C6 113.8(3) . . ?
C4 C5 C6 124.3(3) . . ?
N2 C6 C7 120.7(3) . . ?
N2 C6 C5 112.4(3) . . ?
C7 C6 C5 126.9(3) . . ?
C6 C7 C8 119.4(3) . . ?
C9 C8 C7 117.9(3) . . ?
C9 C8 C8 121.6(4) . 2_575 ?
C7 C8 C8 120.5(4) . 2_575 ?
C10 C9 C8 120.0(3) . . ?
N2 C10 C9 120.6(3) . . ?
N2 C10 C11 112.5(3) . . ?
C9 C10 C11 126.9(3) . . ?
N3 C11 C12 122.2(4) . . ?
N3 C11 C10 112.9(3) . . ?
C12 C11 C10 124.9(3) . . ?
C11 C12 C13 118.9(4) . . ?
C14 C13 C12 119.1(4) . . ?
C15 C14 C13 118.8(4) . . ?
N3 C15 C14 122.5(4) . . ?
C20 C16 P1 113.9(2) 2_655 . ?
C18 C17 P3 115.4(3) . . ?
C17 C18 C19 112.6(3) . . ?
C20 C19 C18 112.4(3) . . ?
C19 C20 C16 112.2(3) . 2_655 ?
C23A C22A C21 112.6(6) . . ?
C22A C23A C24A 110.7(6) . . ?
C25A C24A C23A 112.7(6) . . ?
C24A C25A P2 110.5(5) . 1_455 ?
C23B C22B C21 113.1(8) . . ?
C24B C23B C22B 120.7(10) . . ?
C25B C24B C23B 111.5(12) . . ?
C24B C25B P2 113.3(11) . 1_455 ?
C22A C21 C22B 29.4(5) . . ?
C22A C21 P4 111.0(4) . . ?
C22B C21 P4 112.1(6) . . ?
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 O1 1.899(2) . ?
Cu1 N2 1.932(3) . ?
Cu1 N3 2.011(3) . ?
Cu1 N1 2.021(3) . ?
Cu1 O14 2.302(2) 2_665 ?
V1 O14 1.606(2) . ?
V1 O2 1.925(3) . ?
V1 O4 1.926(3) . ?
V1 O5 1.969(2) . ?
V1 O3 1.995(2) . ?
V2 O10 1.587(3) . ?
V2 O6 1.919(3) . ?
V2 O11 1.941(3) . ?
V2 O9 1.988(3) . ?
V2 O8 2.035(2) . ?
P1 O2 1.521(3) . ?
P1 O1 1.533(3) . ?
P1 O3 1.536(2) 2_665 ?
P1 C16 1.790(3) . ?
P2 O4 1.516(3) . ?
P2 O6 1.518(3) . ?
P2 O9 1.519(3) 2_666 ?
P2 C25B 1.709(17) 1_655 ?
P2 C25A 1.893(12) 1_655 ?
P3 O5 1.502(2) . ?
P3 O8 1.521(2) . ?
P3 O7 1.568(3) . ?
P3 C17 1.800(3) . ?
P4 O13 1.500(3) . ?
P4 O11 1.523(3) . ?
P4 O12 1.572(3) . ?
P4 C21 1.786(4) . ?
O3 P1 1.536(2) 2_665 ?
O9 P2 1.519(3) 2_666 ?
O14 Cu1 2.302(2) 2_665 ?
N1 C1 1.339(5) . ?
N1 C5 1.352(4) . ?
N2 C10 1.331(4) . ?
N2 C6 1.334(4) . ?
N3 C15 1.340(5) . ?
N3 C11 1.357(5) . ?
C1 C2 1.377(6) . ?
C2 C3 1.376(7) . ?
C3 C4 1.381(6) . ?
C4 C5 1.382(5) . ?
C5 C6 1.482(4) . ?
C6 C7 1.390(4) . ?
C7 C8 1.395(4) . ?
C8 C9 1.393(5) . ?
C8 C8 1.487(6) 2_575 ?
C9 C10 1.382(5) . ?
C10 C11 1.493(5) . ?
C11 C12 1.368(5) . ?
C12 C13 1.395(6) . ?
C13 C14 1.380(6) . ?
C14 C15 1.380(6) . ?
C16 C20 1.541(5) 2_655 ?
C17 C18 1.528(5) . ?
C18 C19 1.532(5) . ?
C19 C20 1.525(5) . ?
C20 C16 1.541(5) 2_655 ?
C22A C23A 1.493(10) . ?
C22A C21 1.516(9) . ?
C23A C24A 1.519(9) . ?
C24A C25A 1.518(11) . ?
C25A P2 1.893(12) 1_455 ?
C22B C23B 1.533(5) . ?
C22B C21 1.551(5) . ?
C23B C24B 1.531(5) . ?
C24B C25B 1.523(5) . ?
C25B P2 1.709(17) 1_455 ?
