#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:07:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180491 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/60/7216090.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_7216090
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            'C30 H24 Cu2 N5 O11 P3 V'
_chemical_formula_weight         901.47
_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                 87.155(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4837(13)
_cell_length_b                   13.7172(13)
_cell_length_c                   18.9414(18)
_cell_measurement_reflns_used    8334
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1.51
_cell_volume                     3499.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35794
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    1.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELX-97 (shledrick, 1997)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.833
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8434
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0638
_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)+(0.0562P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                5393
_reflns_number_total             8434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b506250k.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P21/c
_cod_database_code               7216090
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 0.037999(8) 0.905740(8) 0.229110(6) 0.00751(3) Uani 1 1 d .
Cu2 Cu -0.036900(8) 0.409941(8) 0.044128(6) 0.00740(3) Uani 1 1 d .
V1 V -0.026879(11) 0.833499(11) -0.037660(8) 0.00685(4) Uani 1 1 d .
P1 P -0.079591(16) 0.970662(16) 0.097280(11) 0.00484(5) Uani 1 1 d .
P2 P -0.106471(17) 0.665047(17) 0.071370(12) 0.00788(5) Uani 1 1 d .
P3 P 0.107051(17) 0.325658(17) 0.147362(12) 0.00744(5) Uani 1 1 d .
O1 O -0.03650(5) 0.89061(5) 0.14301(3) 0.00626(12) Uani 1 1 d .
O2 O -0.01902(5) 1.06311(4) 0.10410(3) 0.00660(12) Uani 1 1 d .
O3 O -0.08560(5) 0.93671(5) 0.02120(3) 0.00695(12) Uani 1 1 d .
O4 O 0.07671(5) 0.79469(5) -0.01250(4) 0.01157(13) Uani 1 1 d .
O5 O -0.11981(5) 0.74549(5) 0.01810(3) 0.00968(12) Uani 1 1 d .
O6 O -0.05300(5) 0.70510(5) 0.13751(3) 0.01257(13) Uani 1 1 d .
O7 O -0.04832(5) 0.57700(5) 0.04360(3) 0.01098(14) Uani 1 1 d .
O8 O 0.08040(5) 0.40752(5) 0.09781(4) 0.00995(13) Uani 1 1 d .
O9 O 0.07559(5) 0.34620(5) 0.22360(3) 0.01034(13) Uani 1 1 d .
O10 O 0.06689(5) 0.22700(5) 0.12400(3) 0.01331(14) Uani 1 1 d .
O90 O 0.01578(7) 1.06759(6) 0.24490(4) 0.02090(16) Uani 1 1 d .
N1 N 0.17221(6) 0.91011(6) 0.17018(4) 0.01070(16) Uani 1 1 d .
N2 N 0.13327(6) 0.89448(6) 0.30450(4) 0.01071(15) Uani 1 1 d .
N3 N 0.13142(6) 0.88659(6) 0.37591(4) 0.00801(14) Uani 1 1 d .
N4 N 0.16301(6) 0.89078(5) 0.50929(4) 0.00588(13) Uani 1 1 d .
N10 N 0.29003(6) 0.86988(6) 0.33647(5) 0.01324(16) Uani 1 1 d .
C1 C 0.18622(8) 0.92388(8) 0.10031(5) 0.01517(19) Uani 1 1 d .
H1 H 0.1307 0.9325 0.0738 0.018 Uiso 1 1 calc R
C2 C 0.27855(8) 0.92599(10) 0.06570(5) 0.0230(2) Uani 1 1 d .
H2 H 0.2854 0.9368 0.0172 0.028 Uiso 1 1 calc R
C3 C 0.36071(8) 0.91145(10) 0.10541(6) 0.0258(3) Uani 1 1 d .
H3 H 0.4241 0.9133 0.0838 0.031 Uiso 1 1 calc R
C4 C 0.34842(8) 0.89414(9) 0.17727(6) 0.0213(2) Uani 1 1 d .
H4 H 0.4027 0.8821 0.2044 0.026 Uiso 1 1 calc R
C5 C 0.25321(7) 0.89530(7) 0.20760(5) 0.01226(18) Uani 1 1 d .
C6 C 0.22922(7) 0.88330(7) 0.28353(5) 0.01068(18) Uani 1 1 d .
C7 C 0.22530(7) 0.87248(7) 0.39239(5) 0.01023(17) Uani 1 1 d .
C8 C 0.24434(7) 0.86780(7) 0.46751(5) 0.01130(17) Uani 1 1 d .
C9 C 0.33299(7) 0.84285(8) 0.49551(6) 0.01557(19) Uani 1 1 d .
H9 H 0.3878 0.8275 0.4659 0.019 Uiso 1 1 calc R
C10 C 0.34009(7) 0.84079(8) 0.56772(6) 0.0179(2) Uani 1 1 d .
H10 H 0.3991 0.8227 0.5875 0.022 Uiso 1 1 calc R
C11 C 0.25788(7) 0.86609(8) 0.61018(5) 0.01512(19) Uani 1 1 d .
H11 H 0.2614 0.8668 0.6591 0.018 Uiso 1 1 calc R
C12 C 0.17085(7) 0.89018(6) 0.57970(5) 0.01010(17) Uani 1 1 d .
H12 H 0.1157 0.9066 0.6087 0.012 Uiso 1 1 calc R
C13 C -0.20460(7) 0.99760(7) 0.12610(5) 0.00935(17) Uani 1 1 d .
C14 C -0.23549(8) 1.08869(7) 0.15099(6) 0.0189(2) Uani 1 1 d .
H14 H -0.1885 1.1375 0.1559 0.023 Uiso 1 1 calc R
C15 C -0.33383(10) 1.10853(10) 0.16850(8) 0.0317(3) Uani 1 1 d .
H15 H -0.3532 1.1705 0.1835 0.038 Uiso 1 1 calc R
C16 C -0.40252(9) 1.03609(11) 0.16350(9) 0.0364(3) Uani 1 1 d .
H16 H -0.4688 1.0487 0.1760 0.044 Uiso 1 1 calc R
C17 C -0.37456(9) 0.94370(10) 0.13994(9) 0.0354(3) Uani 1 1 d .
H17 H -0.4218 0.8947 0.1367 0.043 Uiso 1 1 calc R
C18 C -0.27737(8) 0.92543(9) 0.12170(7) 0.0237(2) Uani 1 1 d .
H18 H -0.2589 0.8635 0.1059 0.028 Uiso 1 1 calc R
C19 C -0.22859(7) 0.63120(7) 0.10408(5) 0.01007(17) Uani 1 1 d .
C20 C -0.25790(8) 0.64370(8) 0.17578(6) 0.0179(2) Uani 1 1 d .
H20 H -0.2122 0.6647 0.2077 0.021 Uiso 1 1 calc R
C21 C -0.35423(9) 0.62482(10) 0.19857(7) 0.0293(3) Uani 1 1 d .
H21 H -0.3736 0.6337 0.2460 0.035 Uiso 1 1 calc R
C22 C -0.42259(10) 0.59290(10) 0.15204(8) 0.0333(3) Uani 1 1 d .
H22 H -0.4875 0.5799 0.1681 0.040 Uiso 1 1 calc R
C23 C -0.39459(9) 0.58020(9) 0.08151(7) 0.0268(3) Uani 1 1 d .
H23 H -0.4406 0.5580 0.0502 0.032 Uiso 1 1 calc R
C24 C -0.29702(8) 0.60068(7) 0.05709(6) 0.0169(2) Uani 1 1 d .
H24 H -0.2785 0.5937 0.0094 0.020 Uiso 1 1 calc R
C25 C 0.24080(6) 0.31399(7) 0.14560(5) 0.01122(17) Uani 1 1 d .
C26 C 0.29650(8) 0.37792(9) 0.18265(7) 0.0256(2) Uani 1 1 d .
H26 H 0.2649 0.4270 0.2092 0.031 Uiso 1 1 calc R
C27 C 0.39990(9) 0.37069(11) 0.18130(9) 0.0382(4) Uani 1 1 d .
H27 H 0.4366 0.4138 0.2075 0.046 Uiso 1 1 calc R
C28 C 0.44715(9) 0.29970(13) 0.14120(7) 0.0387(4) Uani 1 1 d .
H28 H 0.5161 0.2956 0.1392 0.046 Uiso 1 1 calc R
C29 C 0.39294(12) 0.23532(15) 0.10444(7) 0.0465(4) Uani 1 1 d .
H29 H 0.4249 0.1861 0.0783 0.056 Uiso 1 1 calc R
C30 C 0.28955(9) 0.24277(11) 0.10579(6) 0.0275(3) Uani 1 1 d .
H30 H 0.2532 0.1993 0.0796 0.033 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'
Cu Cu 0.3201 1.2651 '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'
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
O9 Cu1 O1 85.04(3) 2 .
O9 Cu1 N2 99.33(3) 2 .
O1 Cu1 N2 165.57(3) . .
O9 Cu1 N1 156.41(3) 2 .
O1 Cu1 N1 91.41(3) . .
N2 Cu1 N1 79.06(3) . .
O9 Cu1 O90 105.02(3) 2 .
O1 Cu1 O90 98.26(3) . .
N2 Cu1 O90 93.90(3) . .
N1 Cu1 O90 98.57(3) . .
O8 Cu2 N3 96.26(3) . 2_545
O8 Cu2 O7 89.25(3) . 3_565
N3 Cu2 O7 172.95(3) 2_545 3_565
O8 Cu2 N4 171.39(3) . 2_545
N3 Cu2 N4 80.55(3) 2_545 2_545
O7 Cu2 N4 93.37(3) 3_565 2_545
O8 Cu2 O7 94.39(3) . .
N3 Cu2 O7 97.21(3) 2_545 .
O7 Cu2 O7 86.69(3) 3_565 .
N4 Cu2 O7 93.94(3) 2_545 .
O4 V1 O10 113.32(3) . 3_565
O4 V1 O3 114.23(3) . .
O10 V1 O3 132.37(3) 3_565 .
O4 V1 O2 100.33(3) . 3_575
O10 V1 O2 82.02(3) 3_565 3_575
O3 V1 O2 87.04(3) . 3_575
O4 V1 O5 100.14(3) . .
O10 V1 O5 89.64(3) 3_565 .
O3 V1 O5 84.85(3) . .
O2 V1 O5 159.53(3) 3_575 .
O2 P1 O3 113.02(4) . .
O2 P1 O1 109.28(4) . .
O3 P1 O1 110.86(4) . .
O2 P1 C13 107.77(4) . .
O3 P1 C13 105.03(4) . .
O1 P1 C13 110.78(4) . .
O5 P2 O7 115.18(4) . .
O5 P2 O6 110.52(4) . .
O7 P2 O6 107.69(4) . .
O5 P2 C19 106.39(4) . .
O7 P2 C19 111.31(4) . .
O6 P2 C19 105.33(4) . .
O9 P3 O8 112.89(4) . .
O9 P3 O10 110.76(4) . .
O8 P3 O10 112.16(4) . .
O9 P3 C25 105.45(4) . .
O8 P3 C25 108.69(4) . .
O10 P3 C25 106.44(4) . .
P1 O1 Cu1 128.08(4) . .
P1 O2 V1 134.33(4) . 3_575
P1 O3 V1 136.60(4) . .
P2 O5 V1 134.41(4) . .
P2 O7 Cu2 119.10(4) . 3_565
P2 O7 Cu2 145.59(4) . .
Cu2 O7 Cu2 93.31(3) 3_565 .
P3 O8 Cu2 124.47(4) . .
P3 O9 Cu1 134.86(4) . 2_545
P3 O10 V1 137.82(4) . 3_565
C1 N1 C5 117.55(9) . .
C1 N1 Cu1 127.59(7) . .
C5 N1 Cu1 114.85(6) . .
C6 N2 N3 104.81(7) . .
C6 N2 Cu1 116.55(6) . .
N3 N2 Cu1 138.38(6) . .
C7 N3 N2 105.93(7) . .
C7 N3 Cu2 115.60(6) . 2
N2 N3 Cu2 137.57(6) . 2
C12 N4 C8 118.45(8) . .
C12 N4 Cu2 127.04(6) . 2
C8 N4 Cu2 114.22(6) . 2
C7 N10 C6 100.91(8) . .
N1 C1 C2 123.51(9) . .
C1 C2 C3 117.83(10) . .
C4 C3 C2 119.96(10) . .
C5 C4 C3 118.10(10) . .
N1 C5 C4 123.00(9) . .
N1 C5 C6 112.80(9) . .
C4 C5 C6 124.18(9) . .
N10 C6 N2 114.26(8) . .
N10 C6 C5 129.48(9) . .
N2 C6 C5 116.06(9) . .
N3 C7 N10 114.08(8) . .
N3 C7 C8 116.72(8) . .
N10 C7 C8 129.09(8) . .
N4 C8 C9 121.71(9) . .
N4 C8 C7 112.46(8) . .
C9 C8 C7 125.82(9) . .
C8 C9 C10 119.55(9) . .
C9 C10 C11 118.70(9) . .
C12 C11 C10 119.57(9) . .
N4 C12 C11 121.99(9) . .
C14 C13 C18 117.15(9) . .
C14 C13 P1 123.49(8) . .
C18 C13 P1 119.33(8) . .
C15 C14 C13 121.81(11) . .
C16 C15 C14 119.19(12) . .
C15 C16 C17 120.81(11) . .
C18 C17 C16 119.45(12) . .
C17 C18 C13 121.56(11) . .
C24 C19 C20 119.71(9) . .
C24 C19 P2 119.24(7) . .
C20 C19 P2 120.79(8) . .
C21 C20 C19 119.80(11) . .
C20 C21 C22 120.74(12) . .
C21 C22 C23 119.96(11) . .
C22 C23 C24 120.07(12) . .
C19 C24 C23 119.69(10) . .
C26 C25 C30 118.32(10) . .
C26 C25 P3 120.34(8) . .
C30 C25 P3 121.32(8) . .
C25 C26 C27 121.14(13) . .
C28 C27 C26 119.75(13) . .
C29 C28 C27 119.84(11) . .
C28 C29 C30 120.29(13) . .
C25 C30 C29 120.63(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O9 1.9181(7) 2
Cu1 O1 1.9684(6) .
Cu1 N2 1.9736(8) .
Cu1 N1 2.0794(8) .
Cu1 O90 2.2581(8) .
Cu2 O8 1.9225(7) .
Cu2 N3 1.9567(8) 2_545
Cu2 O7 1.9809(7) 3_565
Cu2 N4 2.0385(8) 2_545
Cu2 O7 2.2968(8) .
V1 O4 1.5897(7) .
V1 O10 1.9345(7) 3_565
V1 O3 1.9459(7) .
V1 O2 1.9751(6) 3_575
V1 O5 2.0029(7) .
P1 O2 1.5173(6) .
P1 O3 1.5204(6) .
P1 O1 1.5309(6) .
P1 C13 1.7844(9) .
P2 O5 1.5120(7) .
P2 O7 1.5197(7) .
P2 O6 1.5751(7) .
P2 C19 1.7915(9) .
P3 O9 1.5113(7) .
P3 O8 1.5181(7) .
P3 O10 1.5311(7) .
P3 C25 1.8092(9) .
O2 V1 1.9751(6) 3_575
O7 Cu2 1.9809(7) 3_565
O9 Cu1 1.9181(7) 2_545
O10 V1 1.9344(7) 3_565
N1 C1 1.3409(13) .
N1 C5 1.3466(13) .
N2 C6 1.3432(13) .
N2 N3 1.3560(11) .
N3 C7 1.3328(12) .
N3 Cu2 1.9568(8) 2
N4 C12 1.3430(12) .
N4 C8 1.3572(12) .
N4 Cu2 2.0384(8) 2
N10 C7 1.3391(13) .
N10 C6 1.3392(12) .
C1 C2 1.3783(14) .
C2 C3 1.3842(16) .
C3 C4 1.3835(16) .
C4 C5 1.3802(14) .
C5 C6 1.4677(13) .
C7 C8 1.4598(12) .
C8 C9 1.3749(13) .
C9 C10 1.3761(14) .
C10 C11 1.3811(15) .
C11 C12 1.3735(13) .
C13 C14 1.3919(14) .
C13 C18 1.3993(15) .
C14 C15 1.3780(16) .
C15 C16 1.365(2) .
C16 C17 1.3894(19) .
C17 C18 1.3619(16) .
C19 C24 1.3786(15) .
C19 C20 1.4059(13) .
C20 C21 1.3729(16) .
C21 C22 1.378(2) .
C22 C23 1.381(2) .
C23 C24 1.4012(16) .
C25 C26 1.3704(15) .
C25 C30 1.3807(15) .
C26 C27 1.3967(16) .
C27 C28 1.372(2) .
C28 C29 1.360(3) .
C29 C30 1.3968(19) .
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
_geom_torsion_site_symmetry_4
O2 P1 O1 Cu1 27.10(6) . .
O3 P1 O1 Cu1 152.32(4) . .
C13 P1 O1 Cu1 -91.48(5) . .
O9 Cu1 O1 P1 112.99(5) 2 .
N2 Cu1 O1 P1 -138.60(11) . .
N1 Cu1 O1 P1 -90.37(5) . .
O90 Cu1 O1 P1 8.50(5) . .
O3 P1 O2 V1 17.64(7) . 3_575
O1 P1 O2 V1 141.59(5) . 3_575
C13 P1 O2 V1 -97.96(6) . 3_575
O2 P1 O3 V1 105.34(6) . .
O1 P1 O3 V1 -17.74(7) . .
C13 P1 O3 V1 -137.44(6) . .
O4 V1 O3 P1 -24.82(7) . .
O10 V1 O3 P1 158.80(5) 3_565 .
O2 V1 O3 P1 -124.81(6) 3_575 .
O5 V1 O3 P1 74.00(6) . .
O7 P2 O5 V1 -62.37(7) . .
O6 P2 O5 V1 59.94(7) . .
C19 P2 O5 V1 173.80(5) . .
O4 V1 O5 P2 1.44(7) . .
O10 V1 O5 P2 115.08(6) 3_565 .
O3 V1 O5 P2 -112.30(6) . .
O2 V1 O5 P2 -179.37(6) 3_575 .
O5 P2 O7 Cu2 18.59(6) . 3_565
O6 P2 O7 Cu2 -105.22(5) . 3_565
C19 P2 O7 Cu2 139.80(5) . 3_565
O5 P2 O7 Cu2 -139.74(6) . .
O6 P2 O7 Cu2 96.44(7) . .
C19 P2 O7 Cu2 -18.54(9) . .
O8 Cu2 O7 P2 -109.85(7) . .
N3 Cu2 O7 P2 -12.96(8) 2_545 .
O7 Cu2 O7 P2 161.15(9) 3_565 .
N4 Cu2 O7 P2 68.00(7) 2_545 .
O8 Cu2 O7 Cu2 89.00(3) . 3_565
N3 Cu2 O7 Cu2 -174.11(3) 2_545 3_565
O7 Cu2 O7 Cu2 0.0 3_565 3_565
N4 Cu2 O7 Cu2 -93.15(3) 2_545 3_565
O9 P3 O8 Cu2 -96.25(5) . .
O10 P3 O8 Cu2 29.72(6) . .
C25 P3 O8 Cu2 147.13(5) . .
N3 Cu2 O8 P3 52.72(5) 2_545 .
O7 Cu2 O8 P3 -122.89(5) 3_565 .
N4 Cu2 O8 P3 -15.0(2) 2_545 .
O7 Cu2 O8 P3 150.49(5) . .
O8 P3 O9 Cu1 38.83(7) . 2_545
O10 P3 O9 Cu1 -87.89(7) . 2_545
C25 P3 O9 Cu1 157.36(6) . 2_545
O9 P3 O10 V1 150.85(6) . 3_565
O8 P3 O10 V1 23.72(8) . 3_565
C25 P3 O10 V1 -95.02(7) . 3_565
O9 Cu1 N1 C1 95.77(11) 2 .
O1 Cu1 N1 C1 14.97(9) . .
N2 Cu1 N1 C1 -175.94(9) . .
O90 Cu1 N1 C1 -83.59(9) . .
O9 Cu1 N1 C5 -82.83(10) 2 .
O1 Cu1 N1 C5 -163.64(7) . .
N2 Cu1 N1 C5 5.46(7) . .
O90 Cu1 N1 C5 97.80(7) . .
O9 Cu1 N2 C6 148.43(7) 2 .
O1 Cu1 N2 C6 41.76(17) . .
N1 Cu1 N2 C6 -7.65(7) . .
O90 Cu1 N2 C6 -105.64(7) . .
O9 Cu1 N2 N3 -24.62(10) 2 .
O1 Cu1 N2 N3 -131.29(11) . .
N1 Cu1 N2 N3 179.29(10) . .
O90 Cu1 N2 N3 81.31(10) . .
C6 N2 N3 C7 0.64(10) . .
Cu1 N2 N3 C7 174.22(8) . .
C6 N2 N3 Cu2 168.70(8) . 2
Cu1 N2 N3 Cu2 -17.72(16) . 2
C5 N1 C1 C2 -1.66(16) . .
Cu1 N1 C1 C2 179.76(9) . .
N1 C1 C2 C3 1.11(19) . .
C1 C2 C3 C4 0.9(2) . .
C2 C3 C4 C5 -2.2(2) . .
C1 N1 C5 C4 0.23(15) . .
Cu1 N1 C5 C4 178.99(9) . .
C1 N1 C5 C6 178.72(9) . .
Cu1 N1 C5 C6 -2.52(10) . .
C3 C4 C5 N1 1.66(18) . .
C3 C4 C5 C6 -176.66(11) . .
C7 N10 C6 N2 0.56(11) . .
C7 N10 C6 C5 175.04(10) . .
N3 N2 C6 N10 -0.78(11) . .
Cu1 N2 C6 N10 -176.02(7) . .
N3 N2 C6 C5 -176.04(8) . .
Cu1 N2 C6 C5 8.72(11) . .
N1 C5 C6 N10 -178.22(10) . .
C4 C5 C6 N10 0.25(18) . .
N1 C5 C6 N2 -3.82(13) . .
C4 C5 C6 N2 174.66(10) . .
N2 N3 C7 N10 -0.34(11) . .
Cu2 N3 C7 N10 -171.44(7) 2 .
N2 N3 C7 C8 176.21(8) . .
Cu2 N3 C7 C8 5.12(11) 2 .
C6 N10 C7 N3 -0.11(11) . .
C6 N10 C7 C8 -176.15(10) . .
C12 N4 C8 C9 0.97(14) . .
Cu2 N4 C8 C9 -173.36(8) 2 .
C12 N4 C8 C7 -179.35(8) . .
Cu2 N4 C8 C7 6.32(10) 2 .
N3 C7 C8 N4 -7.58(12) . .
N10 C7 C8 N4 168.37(9) . .
N3 C7 C8 C9 172.09(10) . .
N10 C7 C8 C9 -11.97(17) . .
N4 C8 C9 C10 0.10(16) . .
C7 C8 C9 C10 -179.53(10) . .
C8 C9 C10 C11 -1.39(16) . .
C9 C10 C11 C12 1.61(17) . .
C8 N4 C12 C11 -0.74(13) . .
Cu2 N4 C12 C11 172.78(7) 2 .
C10 C11 C12 N4 -0.56(15) . .
O2 P1 C13 C14 -1.00(10) . .
O3 P1 C13 C14 -121.74(9) . .
O1 P1 C13 C14 118.50(9) . .
O2 P1 C13 C18 176.75(8) . .
O3 P1 C13 C18 56.00(9) . .
O1 P1 C13 C18 -63.75(9) . .
C18 C13 C14 C15 -2.05(17) . .
P1 C13 C14 C15 175.74(10) . .
C13 C14 C15 C16 2.1(2) . .
C14 C15 C16 C17 -1.1(2) . .
C15 C16 C17 C18 0.0(3) . .
C16 C17 C18 C13 0.0(2) . .
C14 C13 C18 C17 0.95(18) . .
P1 C13 C18 C17 -176.93(11) . .
O5 P2 C19 C24 57.26(9) . .
O7 P2 C19 C24 -68.95(9) . .
O6 P2 C19 C24 174.62(7) . .
O5 P2 C19 C20 -116.99(8) . .
O7 P2 C19 C20 116.80(8) . .
O6 P2 C19 C20 0.37(9) . .
C24 C19 C20 C21 0.44(16) . .
P2 C19 C20 C21 174.66(9) . .
C19 C20 C21 C22 0.54(18) . .
C20 C21 C22 C23 -0.4(2) . .
C21 C22 C23 C24 -0.65(19) . .
C20 C19 C24 C23 -1.49(15) . .
P2 C19 C24 C23 -175.81(8) . .
C22 C23 C24 C19 1.61(17) . .
O9 P3 C25 C26 -43.02(10) . .
O8 P3 C25 C26 78.28(9) . .
O10 P3 C25 C26 -160.73(9) . .
O9 P3 C25 C30 138.73(9) . .
O8 P3 C25 C30 -99.97(9) . .
O10 P3 C25 C30 21.02(10) . .
C30 C25 C26 C27 -0.99(18) . .
P3 C25 C26 C27 -179.30(10) . .
C25 C26 C27 C28 1.3(2) . .
C26 C27 C28 C29 -1.6(2) . .
C27 C28 C29 C30 1.7(2) . .
C26 C25 C30 C29 1.08(18) . .
P3 C25 C30 C29 179.36(11) . .
C28 C29 C30 C25 -1.5(2) . .
