#------------------------------------------------------------------------------
#$Date: 2019-11-24 04:00:33 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/68/7236891.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_7236891
loop_
_publ_author_name
'Raizada, Mukul'
'Sama, Farasha'
'Ashafaq, Mo'
'Shahid, M.'
'Ahmad, Musheer'
'Siddiqi, Zafar A.'
_publ_section_title
;
 New hybrid polyoxovanadate--Cu complex with V⋯H interactions and
 dual aqueous-phase sensing properties for picric acid and Pd2+: X-ray
 analysis, magnetic and theoretical studies, and mechanistic insights into
 the hybrid's sensing capabilities
;
_journal_issue                   36
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9315
_journal_paper_doi               10.1039/C7TC03172F
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C36 H60 Cu N6 O32 V10'
_chemical_formula_weight         1661.84
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2017-06-13 deposited with the CCDC.
2017-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                96.201(3)
_cell_angle_beta                 90.085(3)
_cell_angle_gamma                113.148(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8029(6)
_cell_length_b                   13.5597(7)
_cell_length_c                   21.3263(11)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      2.15
_cell_volume                     2852.4(3)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29770
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.019
_exptl_absorpt_correction_T_max  0.7383
_exptl_absorpt_correction_T_min  0.6018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1666
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.130
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         9576
_refine_ls_number_restraints     389
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1122
_refine_ls_R_factor_gt           0.0818
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1381P)²+22.9089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2281
_refine_ls_wR_factor_ref         0.2515
_reflns_number_gt                6718
_reflns_number_total             9576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7tc03172f2.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7236891
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
H5N5 H 0.123(9) 0.950(7) 0.241(5) 0.03(3) Uiso 1 1 d .
H6N6 H 0.655(7) 0.050(6) 0.259(4) 0.007(19) Uiso 1 1 d .
C1 C 0.5876(11) 0.1201(10) 0.2014(5) 0.046(2) Uani 1 1 d U
H1A H 0.4920 0.0750 0.2002 0.055 Uiso 1 1 calc R
H1B H 0.6052 0.1796 0.2344 0.055 Uiso 1 1 calc R
C2 C 0.6206(13) 0.1646(11) 0.1397(5) 0.060(3) Uani 1 1 d U
H2A H 0.7143 0.2117 0.1407 0.089 Uiso 1 1 calc R
H2B H 0.5667 0.2044 0.1321 0.089 Uiso 1 1 calc R
H2C H 0.6020 0.1063 0.1064 0.089 Uiso 1 1 calc R
C3 C 0.8671(13) 0.2216(11) 0.2645(6) 0.069(3) Uani 1 1 d U
H3A H 0.8233 0.2669 0.2530 0.103 Uiso 1 1 calc R
H3B H 0.9627 0.2584 0.2617 0.103 Uiso 1 1 calc R
H3C H 0.8471 0.2057 0.3071 0.103 Uiso 1 1 calc R
C4 C 0.8162(11) 0.1163(11) 0.2197(6) 0.057(3) Uani 1 1 d U
H4A H 0.8425 0.1329 0.1774 0.068 Uiso 1 1 calc R
H4B H 0.8600 0.0708 0.2323 0.068 Uiso 1 1 calc R
C5 C 0.6324(12) -0.0494(10) 0.1766(5) 0.050(2) Uani 1 1 d U
H5A H 0.6899 -0.0842 0.1895 0.060 Uiso 1 1 calc R
H5B H 0.6523 -0.0334 0.1336 0.060 Uiso 1 1 calc R
C6 C 0.4870(13) -0.1272(10) 0.1777(6) 0.065(3) Uani 1 1 d U
H6A H 0.4628 -0.1361 0.2207 0.097 Uiso 1 1 calc R
H6B H 0.4757 -0.1959 0.1554 0.097 Uiso 1 1 calc R
H6C H 0.4301 -0.0992 0.1578 0.097 Uiso 1 1 calc R
C7 C -0.0344(11) 0.8758(9) 0.2957(5) 0.047(2) Uani 1 1 d U
H7A H -0.0839 0.9221 0.2980 0.056 Uiso 1 1 calc R
H7B H -0.0748 0.8190 0.2611 0.056 Uiso 1 1 calc R
C8 C -0.0487(12) 0.8256(11) 0.3562(6) 0.056(3) Uani 1 1 d U
H8A H -0.0092 0.7731 0.3526 0.084 Uiso 1 1 calc R
H8B H -0.1425 0.7909 0.3644 0.084 Uiso 1 1 calc R
H8C H -0.0036 0.8807 0.3904 0.084 Uiso 1 1 calc R
C9 C 0.1754(12) 1.0451(10) 0.3259(5) 0.055(3) Uani 1 1 d U
H9A H 0.2688 1.0811 0.3156 0.066 Uiso 1 1 calc R
H9B H 0.1744 1.0276 0.3689 0.066 Uiso 1 1 calc R
C10 C 0.1052(15) 1.1219(11) 0.3224(6) 0.069(4) Uani 1 1 d U
H10A H 0.0951 1.1320 0.2791 0.104 Uiso 1 1 calc R
H10B H 0.1582 1.1902 0.3461 0.104 Uiso 1 1 calc R
H10C H 0.0180 1.0921 0.3397 0.104 Uiso 1 1 calc R
C11 C 0.1972(13) 0.8791(11) 0.2804(6) 0.060(3) Uani 1 1 d U
H11A H 0.2072 0.8627 0.3228 0.073 Uiso 1 1 calc R
H11B H 0.2860 0.9242 0.2678 0.073 Uiso 1 1 calc R
C12 C 0.1439(16) 0.7742(12) 0.2361(7) 0.076(4) Uani 1 1 d U
H12A H 0.0727 0.7202 0.2555 0.115 Uiso 1 1 calc R
H12B H 0.2155 0.7502 0.2277 0.115 Uiso 1 1 calc R
H12C H 0.1099 0.7859 0.1972 0.115 Uiso 1 1 calc R
C13 C 0.2201(14) 0.5758(11) 0.5350(6) 0.066(3) Uani 1 1 d U
H13 H 0.2843 0.6442 0.5305 0.079 Uiso 1 1 calc R
C14 C 0.1171(13) 0.5663(11) 0.5729(6) 0.061(3) Uani 1 1 d U
H14 H 0.1111 0.6285 0.5930 0.073 Uiso 1 1 calc R
C15 C 0.0245(13) 0.4711(12) 0.5824(6) 0.065(3) Uani 1 1 d U
C16 C 0.0375(13) 0.3781(11) 0.5520(6) 0.066(3) Uani 1 1 d U
H16 H -0.0245 0.3100 0.5587 0.079 Uiso 1 1 calc R
C17 C 0.1422(14) 0.3877(11) 0.5122(7) 0.071(3) Uani 1 1 d U
H17 H 0.1493 0.3258 0.4923 0.085 Uiso 1 1 calc R
C18 C 0.4763(15) 0.5822(11) 0.3486(6) 0.068(3) Uani 1 1 d U
H18 H 0.5260 0.6500 0.3702 0.082 Uiso 1 1 calc R
C19 C 0.3922(15) 0.5738(12) 0.2974(6) 0.069(3) Uani 1 1 d U
H19 H 0.3878 0.6356 0.2844 0.083 Uiso 1 1 calc R
C20 C 0.3158(13) 0.4745(11) 0.2659(6) 0.060(3) Uani 1 1 d U
C21 C 0.4079(16) 0.3978(11) 0.3396(6) 0.074(4) Uani 1 1 d U
H21 H 0.4092 0.3363 0.3545 0.089 Uiso 1 1 calc R
C22 C 0.3208(14) 0.3865(12) 0.2873(6) 0.068(3) Uani 1 1 d U
H22 H 0.2670 0.3180 0.2678 0.081 Uiso 1 1 calc R
C23 C 0.1393(15) 0.6028(11) 0.0751(6) 0.067(3) Uani 1 1 d U
H23 H 0.1352 0.6664 0.0941 0.080 Uiso 1 1 calc R
C24 C 0.2425(16) 0.6079(11) 0.0365(7) 0.075(4) Uani 1 1 d U
H24 H 0.3099 0.6744 0.0309 0.090 Uiso 1 1 calc R
C25 C 0.0430(15) 0.5063(12) 0.0861(6) 0.067(3) Uani 1 1 d U
C26 C 0.0494(14) 0.4128(11) 0.0586(7) 0.072(3) Uani 1 1 d U
H26 H -0.0139 0.3458 0.0664 0.086 Uiso 1 1 calc R
C27 C 0.1552(15) 0.4209(10) 0.0180(7) 0.068(3) Uani 1 1 d U
H27 H 0.1604 0.3576 -0.0008 0.082 Uiso 1 1 calc R
C28 C 0.4947(14) 0.5905(11) -0.1505(6) 0.063(3) Uani 1 1 d U
H28 H 0.5501 0.6552 -0.1272 0.076 Uiso 1 1 calc R
C29 C 0.4202(15) 0.5923(12) -0.2030(6) 0.070(4) Uani 1 1 d U
H29 H 0.4313 0.6582 -0.2165 0.083 Uiso 1 1 calc R
C30 C 0.3281(12) 0.4960(12) -0.2361(7) 0.063(3) Uani 1 1 d U
C31 C 0.3128(13) 0.4030(12) -0.2134(6) 0.068(3) Uani 1 1 d U
H31 H 0.2480 0.3382 -0.2324 0.081 Uiso 1 1 calc R
C32 C 0.3934(16) 0.4021(12) -0.1614(6) 0.084(5) Uani 1 1 d U
H32 H 0.3813 0.3368 -0.1468 0.101 Uiso 1 1 calc R
C33 C -0.0923(16) 0.4554(17) 0.6263(8) 0.105(6) Uani 1 1 d U
H33A H -0.0571 0.4862 0.6684 0.158 Uiso 1 1 calc R
H33B H -0.1460 0.3796 0.6259 0.158 Uiso 1 1 calc R
H33C H -0.1471 0.4904 0.6119 0.158 Uiso 1 1 calc R
C34 C -0.0745(17) 0.4950(18) 0.1302(9) 0.115(6) Uani 1 1 d U
H34A H -0.1221 0.4204 0.1361 0.173 Uiso 1 1 calc R
H34B H -0.1351 0.5210 0.1115 0.173 Uiso 1 1 calc R
H34C H -0.0392 0.5366 0.1703 0.173 Uiso 1 1 calc R
C35 C 0.2434(16) 0.5039(15) -0.2896(7) 0.092(5) Uani 1 1 d U
H35A H 0.1552 0.4934 -0.2755 0.139 Uiso 1 1 calc R
H35B H 0.2360 0.4493 -0.3238 0.139 Uiso 1 1 calc R
H35C H 0.2848 0.5739 -0.3037 0.139 Uiso 1 1 calc R
C36 C 0.2210(16) 0.4645(15) 0.2102(6) 0.092(5) Uani 1 1 d U
H36A H 0.2071 0.3999 0.1826 0.139 Uiso 1 1 calc R
H36B H 0.2601 0.5261 0.1875 0.139 Uiso 1 1 calc R
H36C H 0.1361 0.4612 0.2255 0.139 Uiso 1 1 calc R
N1 N 0.2325(8) 0.4846(7) 0.5022(4) 0.043(2) Uani 1 1 d U
N2 N 0.4881(10) 0.4947(7) 0.3680(4) 0.049(2) Uani 1 1 d U
N3 N 0.2462(9) 0.5133(8) 0.0057(4) 0.047(2) Uani 1 1 d U
N4 N 0.4878(10) 0.4951(8) -0.1325(4) 0.049(2) Uani 1 1 d U
N5 N 0.1103(8) 0.9415(8) 0.2818(4) 0.0409(19) Uani 1 1 d U
N6 N 0.6659(8) 0.0541(8) 0.2183(4) 0.0418(19) Uani 1 1 d U
O0AA O 1.3074(6) 0.1971(5) 0.0715(3) 0.0331(13) Uani 1 1 d U
O2 O 0.6528(6) -0.0490(5) 0.0133(3) 0.0310(14) Uani 1 1 d U
O3 O 0.8666(6) -0.0448(5) 0.0828(3) 0.0261(12) Uani 1 1 d U
O4 O 1.1063(5) 0.0069(4) 0.0358(2) 0.0229(11) Uani 1 1 d U
O5 O 1.0686(6) 0.1500(5) 0.1187(3) 0.0303(12) Uani 1 1 d U
O6 O 0.8557(6) 0.1392(5) 0.0465(3) 0.0307(13) Uani 1 1 d U
O7 O 1.0817(6) -0.0227(5) 0.1579(3) 0.0337(13) Uani 1 1 d U
O8 O 1.3187(6) 0.0179(5) 0.1086(3) 0.0329(14) Uani 1 1 d U
O9 O 0.2178(6) 0.8600(5) 0.4541(3) 0.0300(13) Uani 1 1 d U
O10 O 0.8003(6) 0.9525(5) 0.5140(3) 0.0309(13) Uani 1 1 d U
O11 O 0.4088(6) 1.0434(5) 0.4173(3) 0.0269(12) Uani 1 1 d U
O12 O 0.6000(6) 0.9923(4) 0.4645(2) 0.0239(11) Uani 1 1 d U
O13 O 0.4199(6) 0.8478(5) 0.3821(3) 0.0296(12) Uani 1 1 d U
O14 O 0.8002(6) 0.9808(5) 0.3911(3) 0.0299(13) Uani 1 1 d U
O15 O 0.4199(6) 0.8200(5) 0.5071(3) 0.0284(12) Uani 1 1 d U
O16 O 0.6138(6) 0.8032(5) 0.4299(3) 0.0299(12) Uani 1 1 d U
O17 O 0.8817(7) -0.2201(6) 0.1324(3) 0.0461(17) Uani 1 1 d U
O18 O 1.1192(6) -0.1699(5) 0.0739(3) 0.0326(14) Uani 1 1 d U
O19 O 1.2926(7) 0.1640(6) 0.1961(3) 0.0413(16) Uani 1 1 d U
O20 O 1.3566(7) 0.2414(5) -0.0460(3) 0.0424(16) Uani 1 1 d U
O21 O 1.0972(6) 0.1808(5) -0.0058(3) 0.0282(12) Uani 1 1 d U
O22 O 0.0070(6) 0.8689(5) 0.5283(3) 0.0402(16) Uani 1 1 d U
O23 O 0.6220(8) 0.7603(6) 0.5472(3) 0.0437(17) Uani 1 1 d U
O24 O 0.4053(7) 0.7839(6) 0.6345(3) 0.0409(16) Uani 1 1 d U
O25 O 0.2139(6) 0.8295(5) 0.5748(3) 0.0338(14) Uani 1 1 d U
O26 O 0.6032(6) 1.0201(5) 0.3410(3) 0.0316(14) Uani 1 1 d U
O27 O 0.6283(7) 0.8313(5) 0.3044(3) 0.0394(16) Uani 1 1 d U
O28 O 0.6365(7) 0.1319(6) -0.0279(3) 0.0415(16) Uani 1 1 d U
O34 O 0.3319(9) 0.4941(9) 0.4664(4) 0.077(3) Uani 1 1 d U
O35 O 0.5663(9) 0.5046(8) 0.4175(4) 0.075(3) Uani 1 1 d U
O37 O 0.3446(10) 0.5230(11) -0.0306(4) 0.094(3) Uani 1 1 d U
O38 O 0.5605(9) 0.4944(9) -0.0848(4) 0.080(3) Uani 1 1 d U
Cu1 Cu 0.5000 0.5000 0.5000 0.0456(5) Uani 1 2 d SU
Cu2 Cu 0.5000 0.5000 0.0000 0.0488(5) Uani 1 2 d SU
V0AA V 0.40257(15) 0.87843(12) 0.59621(7) 0.0276(4) Uani 1 1 d U
V1 V 0.16922(15) 0.92189(13) 0.53613(7) 0.0300(4) Uani 1 1 d U
V2 V 0.61066(15) 0.85222(12) 0.50958(7) 0.0261(4) Uani 1 1 d U
V3 V 0.38860(14) 0.90989(12) 0.44896(7) 0.0251(4) Uani 1 1 d U
V4 V 0.62574(16) 0.90156(13) 0.37034(7) 0.0301(4) Uani 1 1 d U
V6 V 1.25618(15) 0.14823(12) -0.00845(7) 0.0266(4) Uani 1 1 d U
V7 V 0.97774(15) -0.12315(12) 0.09533(7) 0.0279(4) Uani 1 1 d U
V8 V 0.74567(16) 0.07809(13) -0.03584(7) 0.0298(4) Uani 1 1 d U
V9 V 0.97602(15) 0.08832(12) 0.05157(7) 0.0257(4) Uani 1 1 d U
V10 V 1.22116(16) 0.09602(13) 0.13042(7) 0.0306(4) Uani 1 1 d U
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'
Cu Cu 0.3201 1.2651 '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
C2 C1 N6 114.4(9) . .
N6 C4 C3 114.0(9) . .
N6 C5 C6 113.8(9) . .
C8 C7 N5 113.6(9) . .
N5 C9 C10 113.0(9) . .
N5 C11 C12 114.4(10) . .
C14 C13 N1 121.5(12) . .
C15 C14 C13 122.0(13) . .
C14 C15 C16 117.7(13) . .
C14 C15 C33 124.2(15) . .
C16 C15 C33 118.1(14) . .
C17 C16 C15 120.5(13) . .
N1 C17 C16 120.7(13) . .
N2 C18 C19 121.8(13) . .
C20 C19 C18 120.1(13) . .
C22 C20 C19 118.4(13) . .
C22 C20 C36 121.2(13) . .
C19 C20 C36 120.3(14) . .
N2 C21 C22 121.5(13) . .
C20 C22 C21 120.0(13) . .
C25 C23 C24 121.1(13) . .
C23 C24 N3 119.9(13) . .
C23 C25 C26 119.5(14) . .
C23 C25 C34 123.6(15) . .
C26 C25 C34 116.8(15) . .
C25 C26 C27 117.9(13) . .
N3 C27 C26 123.0(12) . .
N4 C28 C29 120.7(13) . .
C28 C29 C30 120.8(13) . .
C31 C30 C29 117.2(13) . .
C31 C30 C35 124.4(14) . .
C29 C30 C35 118.1(14) . .
C30 C31 C32 121.3(13) . .
N4 C32 C31 120.7(13) . .
O34 N1 C17 121.0(11) . .
O34 N1 C13 121.3(10) . .
C17 N1 C13 117.5(11) . .
O35 N2 C21 121.2(10) . .
O35 N2 C18 120.6(10) . .
C21 N2 C18 117.9(11) . .
O37 N3 C27 124.3(11) . .
O37 N3 C24 117.2(12) . .
C27 N3 C24 118.4(12) . .
O38 N4 C32 120.7(11) . .
O38 N4 C28 120.2(10) . .
C32 N4 C28 118.7(11) . .
C11 N5 C9 109.5(9) . .
C11 N5 C7 113.2(9) . .
C9 N5 C7 113.5(9) . .
C5 N6 C4 108.0(8) . .
C5 N6 C1 114.5(8) . .
C4 N6 C1 112.9(9) . .
V6 O0AA V10 114.8(3) . .
V6 O2 V8 112.2(3) 2_755 .
V9 O3 V7 108.3(3) . .
V9 O3 V6 108.2(3) . 2_755
V7 O3 V6 98.0(3) . 2_755
V9 O4 V9 101.1(2) . 2_755
V9 O4 V6 91.0(2) . .
V9 O4 V6 94.8(2) 2_755 .
V9 O4 V7 90.3(2) . .
V9 O4 V7 94.2(2) 2_755 .
V6 O4 V7 170.5(3) . .
V9 O4 V8 170.9(3) . 2_755
V9 O4 V8 87.1(2) 2_755 2_755
V6 O4 V8 92.3(2) . 2_755
V7 O4 V8 85.17(19) . 2_755
V9 O4 V10 88.6(2) . .
V9 O4 V10 170.3(3) 2_755 .
V6 O4 V10 85.42(19) . .
V7 O4 V10 85.16(19) . .
V8 O4 V10 83.13(18) 2_755 .
V9 O5 V10 110.6(3) . .
V9 O6 V8 110.0(3) . .
V7 O7 V10 115.0(3) . .
V10 O8 V8 114.5(3) . 2_755
V3 O9 V1 110.1(3) . .
V2 O10 V1 112.0(3) . 2_676
V0AA O11 V3 108.0(3) 2_676 .
V0AA O11 V2 98.2(3) 2_676 2_676
V3 O11 V2 108.9(3) . 2_676
V3 O12 V3 100.9(2) . 2_676
V3 O12 V2 90.8(2) . .
V3 O12 V2 95.5(2) 2_676 .
V3 O12 V0AA 90.0(2) . 2_676
V3 O12 V0AA 93.6(2) 2_676 2_676
V2 O12 V0AA 170.6(3) . 2_676
V3 O12 V1 170.7(3) . 2_676
V3 O12 V1 87.3(2) 2_676 2_676
V2 O12 V1 92.8(2) . 2_676
V0AA O12 V1 85.08(19) 2_676 2_676
V3 O12 V4 88.5(2) . .
V3 O12 V4 170.5(3) 2_676 .
V2 O12 V4 85.42(19) . .
V0AA O12 V4 85.26(19) 2_676 .
V1 O12 V4 83.25(18) 2_676 .
V3 O13 V4 110.6(3) . .
V4 O14 V1 114.1(3) . 2_676
V2 O15 V3 107.1(3) . .
V2 O15 V0AA 99.6(3) . .
V3 O15 V0AA 109.0(3) . .
V2 O16 V4 115.5(3) . .
V8 O18 V7 115.2(3) 2_755 .
V6 O21 V9 106.8(3) . .
V6 O21 V7 99.4(3) . 2_755
V9 O21 V7 108.5(3) . 2_755
V1 O25 V0AA 114.3(3) . .
V0AA O26 V4 114.3(3) 2_676 .
N1 O34 Cu1 121.2(7) . .
N2 O35 Cu1 121.0(7) . .
N3 O37 Cu2 119.8(7) . .
N4 O38 Cu2 121.4(8) . .
O35 Cu1 O35 180.000(2) 2_666 .
O35 Cu1 O34 89.9(4) 2_666 2_666
O35 Cu1 O34 90.1(4) . 2_666
O35 Cu1 O34 90.1(4) 2_666 .
O35 Cu1 O34 89.9(4) . .
O34 Cu1 O34 180.000(2) 2_666 .
O38 Cu2 O38 180.0(7) . 2_665
O38 Cu2 O37 90.3(4) . .
O38 Cu2 O37 89.7(4) 2_665 .
O38 Cu2 O37 89.7(4) . 2_665
O38 Cu2 O37 90.3(4) 2_665 2_665
O37 Cu2 O37 180.0(5) . 2_665
O24 V0AA O26 102.9(3) . 2_676
O24 V0AA O25 101.3(3) . .
O26 V0AA O25 92.3(3) 2_676 .
O24 V0AA O11 102.2(3) . 2_676
O26 V0AA O11 94.0(3) 2_676 2_676
O25 V0AA O11 153.5(3) . 2_676
O24 V0AA O15 101.1(3) . .
O26 V0AA O15 155.8(3) 2_676 .
O25 V0AA O15 86.4(3) . .
O11 V0AA O15 77.4(2) 2_676 .
O24 V0AA O12 176.4(3) . 2_676
O26 V0AA O12 80.8(2) 2_676 2_676
O25 V0AA O12 78.6(2) . 2_676
O11 V0AA O12 77.1(2) 2_676 2_676
O15 V0AA O12 75.3(2) . 2_676
O24 V0AA V2 90.9(2) . .
O26 V0AA V2 136.5(2) 2_676 .
O25 V0AA V2 125.51(19) . .
O11 V0AA V2 42.50(17) 2_676 .
O15 V0AA V2 39.14(17) . .
O12 V0AA V2 86.20(14) 2_676 .
O24 V0AA V1 132.7(3) . .
O26 V0AA V1 82.5(2) 2_676 .
O25 V0AA V1 31.52(19) . .
O11 V0AA V1 124.46(18) 2_676 .
O15 V0AA V1 83.85(18) . .
O12 V0AA V1 47.51(14) 2_676 .
V2 V0AA V1 117.41(6) . .
O22 V1 O25 105.5(3) . .
O22 V1 O14 102.2(3) . 2_676
O25 V1 O14 93.6(3) . 2_676
O22 V1 O9 100.8(3) . .
O25 V1 O9 88.2(3) . .
O14 V1 O9 155.5(3) 2_676 .
O22 V1 O10 97.2(3) . 2_676
O25 V1 O10 156.5(3) . 2_676
O14 V1 O10 87.4(3) 2_676 2_676
O9 V1 O10 81.6(3) . 2_676
O22 V1 O12 172.5(3) . 2_676
O25 V1 O12 81.1(3) . 2_676
O14 V1 O12 80.7(2) 2_676 2_676
O9 V1 O12 75.5(2) . 2_676
O10 V1 O12 75.9(2) 2_676 2_676
O22 V1 V3 132.3(2) . .
O25 V1 V3 81.9(2) . .
O14 V1 V3 124.6(2) 2_676 .
O9 V1 V3 31.59(17) . .
O10 V1 V3 78.35(18) 2_676 .
O12 V1 V3 44.00(14) 2_676 .
O22 V1 V4 134.4(2) . 2_676
O25 V1 V4 85.8(2) . 2_676
O14 V1 V4 32.20(19) 2_676 2_676
O9 V1 V4 124.03(18) . 2_676
O10 V1 V4 82.65(18) 2_676 2_676
O12 V1 V4 48.58(14) 2_676 2_676
V3 V1 V4 92.58(6) . 2_676
O22 V1 V0AA 139.5(3) . .
O25 V1 V0AA 34.2(2) . .
O14 V1 V0AA 82.8(2) 2_676 .
O9 V1 V0AA 85.09(18) . .
O10 V1 V0AA 123.27(18) 2_676 .
O12 V1 V0AA 47.41(14) 2_676 .
V3 V1 V0AA 63.07(5) . .
V4 V1 V0AA 60.78(5) 2_676 .
O23 V2 O16 103.4(3) . .
O23 V2 O15 103.2(3) . .
O16 V2 O15 95.3(3) . .
O23 V2 O10 99.9(3) . .
O16 V2 O10 93.6(3) . .
O15 V2 O10 152.5(3) . .
O23 V2 O11 100.9(3) . 2_676
O16 V2 O11 155.5(3) . 2_676
O15 V2 O11 76.5(2) . 2_676
O10 V2 O11 84.8(2) . 2_676
O23 V2 O12 174.9(3) . .
O16 V2 O12 81.5(2) . .
O15 V2 O12 77.6(2) . .
O10 V2 O12 78.1(2) . .
O11 V2 O12 74.3(2) 2_676 .
O23 V2 V0AA 91.6(3) . .
O16 V2 V0AA 136.5(2) . .
O15 V2 V0AA 41.25(17) . .
O10 V2 V0AA 124.13(19) . .
O11 V2 V0AA 39.33(17) 2_676 .
O12 V2 V0AA 85.72(15) . .
O23 V2 V4 136.7(3) . .
O16 V2 V4 33.7(2) . .
O15 V2 V4 90.45(18) . .
O10 V2 V4 82.66(18) . .
O11 V2 V4 122.28(17) 2_676 .
O12 V2 V4 48.03(14) . .
V0AA V2 V4 122.84(6) . .
O23 V2 V3 139.0(3) . .
O16 V2 V3 79.5(2) . .
O15 V2 V3 36.63(18) . .
O10 V2 V3 120.88(19) . .
O11 V2 V3 80.43(17) 2_676 .
O12 V2 V3 42.77(15) . .
V0AA V2 V3 63.44(5) . .
V4 V2 V3 59.68(5) . .
O13 V3 O9 106.8(3) . .
O13 V3 O11 97.8(3) . .
O9 V3 O11 97.0(3) . .
O13 V3 O15 97.5(3) . .
O9 V3 O15 96.1(3) . .
O11 V3 O15 156.0(3) . .
O13 V3 O12 87.2(3) . .
O9 V3 O12 165.9(3) . .
O11 V3 O12 81.6(2) . .
O15 V3 O12 80.8(2) . .
O13 V3 O12 166.3(3) . 2_676
O9 V3 O12 86.9(3) . 2_676
O11 V3 O12 80.0(2) . 2_676
O15 V3 O12 80.8(2) . 2_676
O12 V3 O12 79.1(2) . 2_676
O13 V3 V1 145.0(2) . .
O9 V3 V1 38.3(2) . .
O11 V3 V1 91.55(18) . .
O15 V3 V1 86.39(18) . .
O12 V3 V1 127.63(15) . .
O12 V3 V1 48.73(16) 2_676 .
O13 V3 V4 38.8(2) . .
O9 V3 V4 145.7(2) . .
O11 V3 V4 90.04(18) . .
O15 V3 V4 90.40(18) . .
O12 V3 V4 48.38(15) . .
O12 V3 V4 127.43(16) 2_676 .
V1 V3 V4 175.38(6) . .
O13 V3 V2 84.2(2) . .
O9 V3 V2 132.3(2) . .
O11 V3 V2 128.03(18) . .
O15 V3 V2 36.28(17) . .
O12 V3 V2 46.48(16) . .
O12 V3 V2 86.57(16) 2_676 .
V1 V3 V2 115.86(6) . .
V4 V3 V2 59.94(5) . .
O27 V4 O14 103.7(3) . .
O27 V4 O26 101.1(3) . .
O14 V4 O26 91.7(3) . .
O27 V4 O16 101.7(3) . .
O14 V4 O16 92.7(3) . .
O26 V4 O16 155.0(3) . .
O27 V4 O13 100.9(3) . .
O14 V4 O13 155.4(3) . .
O26 V4 O13 83.4(3) . .
O16 V4 O13 82.5(3) . .
O27 V4 O12 174.5(3) . .
O14 V4 O12 81.7(2) . .
O26 V4 O12 79.2(2) . .
O16 V4 O12 77.1(2) . .
O13 V4 O12 73.7(2) . .
O27 V4 V1 137.3(3) . 2_676
O14 V4 V1 33.66(19) . 2_676
O26 V4 V1 83.0(2) . 2_676
O16 V4 V1 87.14(19) . 2_676
O13 V4 V1 121.73(17) . 2_676
O12 V4 V1 48.17(14) . 2_676
O27 V4 V3 131.4(3) . .
O14 V4 V3 124.85(19) . .
O26 V4 V3 79.13(19) . .
O16 V4 V3 78.24(18) . .
O13 V4 V3 30.53(16) . .
O12 V4 V3 43.13(14) . .
V1 V4 V3 91.23(5) 2_676 .
O27 V4 V2 132.5(3) . .
O14 V4 V2 84.5(2) . .
O26 V4 V2 125.65(19) . .
O16 V4 V2 30.82(18) . .
O13 V4 V2 79.04(17) . .
O12 V4 V2 46.55(14) . .
V1 V4 V2 64.73(5) 2_676 .
V3 V4 V2 60.38(5) . .
O20 V6 O0AA 103.6(3) . .
O20 V6 O21 102.3(3) . .
O0AA V6 O21 94.9(3) . .
O20 V6 O2 100.5(3) . 2_755
O0AA V6 O2 93.9(3) . 2_755
O21 V6 O2 152.9(3) . 2_755
O20 V6 O3 100.2(3) . 2_755
O0AA V6 O3 155.9(3) . 2_755
O21 V6 O3 76.5(2) . 2_755
O2 V6 O3 85.1(2) 2_755 2_755
O20 V6 O4 174.6(3) . .
O0AA V6 O4 81.8(2) . .
O21 V6 O4 77.6(2) . .
O2 V6 O4 78.4(2) 2_755 .
O3 V6 O4 74.5(2) 2_755 .
O20 V6 V7 90.8(3) . 2_755
O0AA V6 V7 136.2(2) . 2_755
O21 V6 V7 41.36(18) . 2_755
O2 V6 V7 124.27(19) 2_755 2_755
O3 V6 V7 39.18(16) 2_755 2_755
O4 V6 V7 85.63(14) . 2_755
O20 V6 V10 137.4(3) . .
O0AA V6 V10 34.2(2) . .
O21 V6 V10 90.36(18) . .
O2 V6 V10 82.71(18) 2_755 .
O3 V6 V10 122.36(17) 2_755 .
O4 V6 V10 47.92(14) . .
V7 V6 V10 122.70(6) 2_755 .
O17 V7 O7 103.6(3) . .
O17 V7 O18 101.2(3) . .
O7 V7 O18 92.3(3) . .
O17 V7 O3 102.6(3) . .
O7 V7 O3 93.2(3) . .
O18 V7 O3 153.5(3) . .
O17 V7 O21 100.4(3) . 2_755
O7 V7 O21 155.7(3) . 2_755
O18 V7 O21 86.5(3) . 2_755
O3 V7 O21 77.9(2) . 2_755
O17 V7 O4 175.7(3) . .
O7 V7 O4 80.6(2) . .
O18 V7 O4 78.4(2) . .
O3 V7 O4 77.0(2) . .
O21 V7 O4 75.4(2) 2_755 .
O17 V7 V6 90.9(3) . 2_755
O7 V7 V6 136.0(2) . 2_755
O18 V7 V6 125.7(2) . 2_755
O3 V7 V6 42.83(17) . 2_755
O21 V7 V6 39.20(17) 2_755 2_755
O4 V7 V6 85.98(14) . 2_755
O17 V7 V8 132.1(3) . 2_755
O7 V7 V8 82.7(2) . 2_755
O18 V7 V8 31.03(19) . 2_755
O3 V7 V8 124.60(18) . 2_755
O21 V7 V8 83.92(17) 2_755 2_755
O4 V7 V8 47.77(14) . 2_755
V6 V7 V8 117.44(6) 2_755 2_755
O17 V7 V10 136.4(3) . .
O7 V7 V10 33.1(2) . .
O18 V7 V10 81.68(19) . .
O3 V7 V10 88.97(18) . .
O21 V7 V10 123.18(18) 2_755 .
O4 V7 V10 47.84(14) . .
V6 V7 V10 122.95(6) 2_755 .
V8 V7 V10 59.12(5) 2_755 .
O17 V7 V9 137.7(3) . .
O7 V7 V9 78.7(2) . .
O18 V7 V9 121.01(19) . .
O3 V7 V9 35.76(18) . .
O21 V7 V9 81.11(17) 2_755 .
O4 V7 V9 42.65(14) . .
V6 V7 V9 63.59(5) 2_755 .
V8 V7 V9 90.14(5) 2_755 .
V10 V7 V9 59.62(5) . .
O28 V8 O18 105.3(3) . 2_755
O28 V8 O8 102.6(3) . 2_755
O18 V8 O8 93.4(3) 2_755 2_755
O28 V8 O6 100.8(3) . .
O18 V8 O6 88.1(3) 2_755 .
O8 V8 O6 155.3(3) 2_755 .
O28 V8 O2 98.0(3) . .
O18 V8 O2 155.9(3) 2_755 .
O8 V8 O2 87.1(3) 2_755 .
O6 V8 O2 81.8(3) . .
O28 V8 O4 173.1(3) . 2_755
O18 V8 O4 80.4(2) 2_755 2_755
O8 V8 O4 80.6(2) 2_755 2_755
O6 V8 O4 75.4(2) . 2_755
O2 V8 O4 75.9(2) . 2_755
O28 V8 V9 132.2(3) . .
O18 V8 V9 81.9(2) 2_755 .
O8 V8 V9 124.4(2) 2_755 .
O6 V8 V9 31.54(17) . .
O2 V8 V9 78.00(18) . .
O4 V8 V9 43.90(14) 2_755 .
O28 V8 V10 134.8(3) . 2_755
O18 V8 V10 85.1(2) 2_755 2_755
O8 V8 V10 32.18(19) 2_755 2_755
O6 V8 V10 123.85(18) . 2_755
O2 V8 V10 82.64(18) . 2_755
O4 V8 V10 48.51(14) 2_755 2_755
V9 V8 V10 92.41(6) . 2_755
O28 V8 V7 139.0(3) . 2_755
O18 V8 V7 33.8(2) 2_755 2_755
O8 V8 V7 82.8(2) 2_755 2_755
O6 V8 V7 84.85(18) . 2_755
O2 V8 V7 122.96(18) . 2_755
O4 V8 V7 47.06(14) 2_755 2_755
V9 V8 V7 63.17(5) . 2_755
V10 V8 V7 60.50(5) 2_755 2_755
O5 V9 O6 106.5(3) . .
O5 V9 O3 97.5(3) . .
O6 V9 O3 98.0(3) . .
O5 V9 O21 97.0(3) . .
O6 V9 O21 95.4(3) . .
O3 V9 O21 156.6(2) . .
O5 V9 O4 87.2(3) . .
O6 V9 O4 166.2(3) . .
O3 V9 O4 81.4(2) . .
O21 V9 O4 81.0(2) . .
O5 V9 O4 166.1(3) . 2_755
O6 V9 O4 87.3(3) . 2_755
O3 V9 O4 81.0(2) . 2_755
O21 V9 O4 80.5(2) . 2_755
O4 V9 O4 78.9(2) . 2_755
O5 V9 V8 144.8(2) . .
O6 V9 V8 38.4(2) . .
O3 V9 V8 92.29(18) . .
O21 V9 V8 86.35(18) . .
O4 V9 V8 127.76(16) . .
O4 V9 V8 48.97(15) 2_755 .
O5 V9 V10 38.8(2) . .
O6 V9 V10 145.4(2) . .
O3 V9 V10 89.52(18) . .
O21 V9 V10 90.30(18) . .
O4 V9 V10 48.36(15) . .
O4 V9 V10 127.29(16) 2_755 .
V8 V9 V10 175.38(6) . .
O5 V9 V7 85.2(2) . .
O6 V9 V7 133.8(2) . .
O3 V9 V7 35.90(17) . .
O21 V9 V7 127.99(18) . .
O4 V9 V7 47.09(15) . .
O4 V9 V7 85.62(15) 2_755 .
V8 V9 V7 119.92(6) . .
V10 V9 V7 60.09(5) . .
O19 V10 O8 103.5(3) . .
O19 V10 O7 101.6(3) . .
O8 V10 O7 92.3(3) . .
O19 V10 O0AA 101.5(3) . .
O8 V10 O0AA 92.3(3) . .
O7 V10 O0AA 154.7(3) . .
O19 V10 O5 101.4(3) . .
O8 V10 O5 155.1(3) . .
O7 V10 O5 83.2(3) . .
O0AA V10 O5 82.3(3) . .
O19 V10 O4 174.9(3) . .
O8 V10 O4 81.6(2) . .
O7 V10 O4 78.6(2) . .
O0AA V10 O4 77.4(2) . .
O5 V10 O4 73.5(2) . .
O19 V10 V8 136.7(3) . 2_755
O8 V10 V8 33.36(19) . 2_755
O7 V10 V8 83.0(2) . 2_755
O0AA V10 V8 87.23(19) . 2_755
O5 V10 V8 121.83(17) . 2_755
O4 V10 V8 48.36(14) . 2_755
O19 V10 V9 132.0(3) . .
O8 V10 V9 124.6(2) . .
O7 V10 V9 78.6(2) . .
O0AA V10 V9 78.36(19) . .
O5 V10 V9 30.56(16) . .
O4 V10 V9 42.99(14) . .
V8 V10 V9 91.28(5) 2_755 .
O19 V10 V6 132.5(3) . .
O8 V10 V6 83.9(2) . .
O7 V10 V6 125.21(19) . .
O0AA V10 V6 31.04(18) . .
O5 V10 V6 78.98(17) . .
O4 V10 V6 46.66(14) . .
V8 V10 V6 64.59(5) 2_755 .
V9 V10 V6 60.48(5) . .
O19 V10 V7 133.5(3) . .
O8 V10 V7 83.6(2) . .
O7 V10 V7 31.96(18) . .
O0AA V10 V7 124.34(19) . .
O5 V10 V7 79.70(18) . .
O4 V10 V7 46.99(14) . .
V8 V10 V7 60.38(5) 2_755 .
V9 V10 V7 60.29(5) . .
V6 V10 V7 93.64(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.492(15) .
C1 N6 1.521(13) .
C3 C4 1.530(18) .
C4 N6 1.506(14) .
C5 N6 1.490(14) .
C5 C6 1.512(17) .
C7 C8 1.503(15) .
C7 N5 1.514(13) .
C9 N5 1.513(14) .
C9 C10 1.518(17) .
C11 N5 1.488(14) .
C11 C12 1.521(18) .
C13 C14 1.349(18) .
C13 N1 1.408(16) .
C14 C15 1.322(18) .
C15 C16 1.412(19) .
C15 C33 1.53(2) .
C16 C17 1.388(19) .
C17 N1 1.333(15) .
C18 N2 1.349(15) .
C18 C19 1.386(18) .
C19 C20 1.369(18) .
C20 C22 1.344(19) .
C20 C36 1.527(18) .
C21 N2 1.332(15) .
C21 C22 1.413(19) .
C23 C25 1.359(19) .
C23 C24 1.37(2) .
C24 N3 1.392(16) .
C25 C26 1.366(19) .
C25 C34 1.55(2) .
C26 C27 1.41(2) .
C27 N3 1.307(16) .
C28 N4 1.363(15) .
C28 C29 1.387(17) .
C29 C30 1.403(18) .
C30 C31 1.350(19) .
C30 C35 1.500(19) .
C31 C32 1.413(19) .
C32 N4 1.352(16) .
N1 O34 1.291(12) .
N2 O35 1.314(12) .
N3 O37 1.289(12) .
N4 O38 1.289(12) .
O0AA V6 1.766(6) .
O0AA V10 1.923(6) .
O2 V6 1.949(6) 2_755
O2 V8 2.026(6) .
O3 V9 1.919(6) .
O3 V7 1.925(6) .
O3 V6 2.072(6) 2_755
O4 V9 2.112(6) .
O4 V9 2.122(5) 2_755
O4 V6 2.268(6) .
O4 V7 2.283(6) .
O4 V8 2.309(6) 2_755
O4 V10 2.314(5) .
O5 V9 1.681(6) .
O5 V10 2.074(6) .
O6 V9 1.702(6) .
O6 V8 2.022(6) .
O7 V7 1.816(6) .
O7 V10 1.873(7) .
O8 V10 1.795(6) .
O8 V8 1.853(6) 2_755
O9 V3 1.706(6) .
O9 V1 2.018(6) .
O10 V2 1.959(6) .
O10 V1 2.026(6) 2_676
O11 V0AA 1.931(6) 2_676
O11 V3 1.933(6) .
O11 V2 2.058(6) 2_676
O12 V3 2.117(6) .
O12 V3 2.127(5) 2_676
O12 V2 2.261(6) .
O12 V0AA 2.297(6) 2_676
O12 V1 2.301(6) 2_676
O12 V4 2.315(5) .
O13 V3 1.680(6) .
O13 V4 2.075(6) .
O14 V4 1.791(6) .
O14 V1 1.863(6) 2_676
O15 V2 1.930(6) .
O15 V3 1.946(6) .
O15 V0AA 2.016(6) .
O16 V2 1.762(6) .
O16 V4 1.908(6) .
O17 V7 1.608(7) .
O18 V8 1.770(6) 2_755
O18 V7 1.910(6) .
O19 V10 1.602(6) .
O20 V6 1.600(7) .
O21 V6 1.934(6) .
O21 V9 1.957(6) .
O21 V7 2.022(6) 2_755
O22 V1 1.612(7) .
O23 V2 1.597(7) .
O24 V0AA 1.601(6) .
O25 V1 1.783(7) .
O25 V0AA 1.916(6) .
O26 V0AA 1.832(6) 2_676
O26 V4 1.887(6) .
O27 V4 1.619(6) .
O28 V8 1.613(6) .
O34 Cu1 1.921(9) .
O35 Cu1 1.898(9) .
O37 Cu2 1.947(10) .
O38 Cu2 1.927(9) .
Cu1 O35 1.898(9) 2_666
Cu1 O34 1.921(9) 2_666
Cu2 O38 1.927(9) 2_665
Cu2 O37 1.947(10) 2_665
V0AA O26 1.832(6) 2_676
V0AA O11 1.931(6) 2_676
V0AA O12 2.297(6) 2_676
V0AA V2 3.015(2) .
V0AA V1 3.109(2) .
V1 O14 1.863(6) 2_676
V1 O10 2.026(6) 2_676
V1 O12 2.301(6) 2_676
V1 V3 3.058(2) .
V1 V4 3.066(2) 2_676
V2 O11 2.058(6) 2_676
V2 V4 3.104(2) .
V2 V3 3.118(2) .
V3 O12 2.127(5) 2_676
V3 V4 3.096(2) .
V4 V1 3.066(2) 2_676
V6 O2 1.949(6) 2_755
V6 O3 2.072(6) 2_755
V6 V7 3.018(2) 2_755
V6 V10 3.108(2) .
V7 O21 2.022(6) 2_755
V7 V6 3.018(2) 2_755
V7 V8 3.107(2) 2_755
V7 V10 3.111(2) .
V7 V9 3.117(2) .
V8 O18 1.770(6) 2_755
V8 O8 1.853(6) 2_755
V8 O4 2.309(6) 2_755
V8 V9 3.057(2) .
V8 V10 3.067(2) 2_755
V8 V7 3.107(2) 2_755
V9 O4 2.122(5) 2_755
V9 V10 3.096(2) .
V10 V8 3.067(2) 2_755
