#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:09:19 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179525 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/22/4342229.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_4342229
loop_
_publ_author_name
'He, Xue-Li'
'Liu, Yun-Ping'
'Gong, Kai-Ning'
'Han, Zhan-Gang'
'Zhai, Xue-Liang'
_publ_section_title
;
 Copper-Organic Cationic Ring with an Inserted Arsenic-Vanadium
 Polyanionic Cluster for Efficient Catalytic Cr(VI) Reduction Using Formic
 Acid.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1215
_journal_page_last               1217
_journal_paper_doi               10.1021/ic5030444
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C52 H58 As8 Cu4 N8 O43 V14'
_chemical_formula_weight         3049.78
_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                106.261(2)
_cell_angle_beta                 109.509(2)
_cell_angle_gamma                93.014(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0877(18)
_cell_length_b                   12.4169(18)
_cell_length_c                   16.3010(18)
_cell_measurement_reflns_used    4648
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      2.29
_cell_volume                     2184.9(5)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10967
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    5.468
_exptl_absorpt_correction_T_max  0.440
_exptl_absorpt_correction_T_min  0.411
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.318
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.874
_refine_diff_density_min         -2.244
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         7610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0625
_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)+(0.0807P)²+14.4146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1620
_refine_ls_wR_factor_ref         0.1728
_reflns_number_gt                5775
_reflns_number_total             7610
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5030444_si_001.cif
_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/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342229--4342230.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4342229
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 0.41453(10) 0.35080(10) 0.39122(8) 0.0497(3) Uani 1 1 d . A .
Cu2 Cu 0.12126(11) 0.93735(11) 0.95308(8) 0.0594(3) Uani 1 1 d . . .
V1 V 0.58080(11) 0.60970(11) 0.26700(8) 0.0332(3) Uani 1 1 d . . .
V2 V 0.42255(13) 0.38019(11) 0.17893(8) 0.0358(3) Uani 1 1 d . . .
V3 V 0.76557(12) 0.35459(12) 0.03174(9) 0.0366(3) Uani 1 1 d . . .
V4 V 0.69090(12) 0.77664(12) 0.01650(9) 0.0389(3) Uani 1 1 d . . .
V5 V 0.69435(16) 0.77473(15) 0.20318(10) 0.0580(5) Uani 1 1 d . A .
V6 V 0.8145(2) 0.6114(2) 0.16881(18) 0.0388(6) Uani 0.50 1 d P . .
V7 V 0.4657(3) 0.7897(2) 0.12173(19) 0.0454(7) Uani 0.50 1 d P . .
V8 V 0.3812(3) 0.6942(3) -0.14866(18) 0.0424(7) Uani 0.50 1 d P . .
V9 V 0.2666(3) 0.5204(3) 0.11021(19) 0.0413(7) Uani 0.50 1 d P . .
As1 As 0.8999(3) 0.6216(3) 0.10060(19) 0.0379(7) Uani 0.40 1 d P A 1
As2 As 0.8589(2) 0.5892(3) -0.02213(18) 0.0311(6) Uani 0.40 1 d P . 1
As3 As 0.29966(18) 0.63585(17) 0.18710(12) 0.0388(4) Uani 0.45 1 d P . 1
As6 As 0.4591(3) 0.8892(2) 0.05584(18) 0.0344(6) Uani 0.40 1 d P A 1
As7 As 0.83432(17) 0.52567(18) 0.24722(12) 0.0348(4) Uani 0.40 1 d P A 1
As1' As 0.9028(9) 0.6333(10) 0.1434(8) 0.036(3) Uani 0.10 1 d P A 2
As2' As 0.8388(10) 0.5553(10) -0.0654(9) 0.036(3) Uani 0.10 1 d P . 2
As3' As 0.3740(13) 0.6757(12) 0.1784(8) 0.022(3) Uani 0.05 1 d P A 2
As6' As 0.4499(10) 0.8763(8) 0.0930(9) 0.043(3) Uani 0.10 1 d P A 2
As7' As 0.7494(7) 0.4803(8) 0.2164(5) 0.0348(4) Uani 0.10 1 d P . 2
As4 As 0.39492(16) 0.79132(15) 0.20191(11) 0.0429(4) Uani 0.50 1 d P A .
As5 As 0.41531(18) 0.81401(15) -0.08559(14) 0.0479(5) Uani 0.50 1 d P . .
As8 As 0.73989(16) 0.40868(16) 0.24556(11) 0.0431(4) Uani 0.50 1 d P . .
O5 O 0.5899(5) 0.4461(4) 0.2298(4) 0.0412(13) Uani 1 1 d . . .
O6 O 0.5431(5) 0.7424(4) -0.0901(3) 0.0391(12) Uani 1 1 d . . .
O7 O 0.4131(5) 0.5419(4) 0.2074(3) 0.0362(12) Uani 1 1 d . A .
O8 O 0.3193(6) 0.6754(5) 0.1004(4) 0.0508(15) Uani 1 1 d . . .
O9 O 0.6138(5) 0.6558(5) 0.3757(3) 0.0429(13) Uani 1 1 d . A .
O10 O 0.5454(5) 0.7366(5) 0.2201(4) 0.0520(16) Uani 1 1 d . A .
O11 O 0.7216(5) 0.6385(6) 0.2386(4) 0.0569(17) Uani 1 1 d . A .
O12 O 0.7199(5) 0.6445(5) -0.0693(4) 0.0461(14) Uani 1 1 d . . .
O13 O 0.5995(6) 0.8176(6) 0.0965(4) 0.0586(18) Uani 1 1 d . A .
O14 O 0.2312(6) 1.1109(5) 0.9767(4) 0.0574(17) Uani 1 1 d . . .
O15 O 0.7778(6) 0.7228(5) 0.1182(4) 0.0584(18) Uani 1 1 d . A .
O16 O 0.3711(6) 0.7553(5) -0.0194(4) 0.0550(16) Uani 1 1 d . . .
O17 O 0.8818(5) 0.2984(6) 0.0482(4) 0.0545(16) Uani 1 1 d . . .
O18 O 0.3897(6) 0.3309(5) 0.2512(4) 0.0522(15) Uani 1 1 d . . .
O20 O 0.7728(7) 0.8829(7) 0.2854(4) 0.083(3) Uani 1 1 d . . .
O21 O 0.8051(6) 0.5095(6) 0.0337(5) 0.0620(18) Uani 1 1 d . . .
O22 O 0.7558(6) 0.4292(7) 0.1520(4) 0.072(2) Uani 1 1 d . . .
O23 O 0.4267(8) 0.9031(6) 0.1585(6) 0.080(2) Uani 1 1 d . A .
O24 O 0.8312(7) 0.4704(7) -0.1355(6) 0.086(2) Uani 1 1 d . . .
O26 O 0.9392(7) 0.6165(12) 0.2185(7) 0.132(5) Uani 1 1 d . A .
O27 O 0.6810(8) 0.2469(8) 0.2003(7) 0.109(3) Uani 1 1 d . . .
N1 N 0.5055(6) 0.2349(6) 0.4175(5) 0.0462(17) Uani 1 1 d . . .
N2 N 0.3241(7) 0.4675(6) 0.4195(5) 0.0463(17) Uani 1 1 d . . .
N3 N 0.8664(6) 0.0386(6) 0.9230(5) 0.0486(18) Uani 1 1 d . . .
N4 N 0.0759(7) 0.8739(6) 0.8239(5) 0.055(2) Uani 1 1 d . . .
C1 C 0.5444(8) 0.1667(8) 0.3561(6) 0.054(2) Uani 1 1 d . A .
H1 H 0.5274 0.1767 0.2990 0.065 Uiso 1 1 calc R . .
C2 C 0.6084(8) 0.0827(8) 0.3754(6) 0.051(2) Uani 1 1 d . . .
H2 H 0.6317 0.0358 0.3307 0.062 Uiso 1 1 calc R A .
C3 C 0.6388(9) 0.0671(9) 0.4613(6) 0.060(3) Uani 1 1 d . A .
C4 C 0.5341(8) 0.2205(9) 0.4990(6) 0.053(2) Uani 1 1 d . A .
H4 H 0.5100 0.2685 0.5426 0.064 Uiso 1 1 calc R . .
C5 C 0.3187(9) 0.5054(8) 0.5024(6) 0.057(2) Uani 1 1 d . A .
H5 H 0.3652 0.4780 0.5480 0.068 Uiso 1 1 calc R . .
C6 C 0.2601(9) 0.5121(9) 0.3579(7) 0.059(3) Uani 1 1 d . A .
H6 H 0.2648 0.4892 0.2999 0.071 Uiso 1 1 calc R . .
C7 C 0.1876(9) 0.5896(9) 0.3739(7) 0.065(3) Uani 1 1 d . . .
H7 H 0.1430 0.6164 0.3273 0.078 Uiso 1 1 calc R A .
C8 C 0.1085(9) 0.9302(8) 0.7731(6) 0.056(2) Uani 1 1 d . . .
H8 H 0.1634 0.9969 0.8032 0.067 Uiso 1 1 calc R . .
C9 C 0.0000(10) 0.7765(9) 0.7765(7) 0.068(3) Uani 1 1 d . . .
H9 H -0.0222 0.7340 0.8088 0.081 Uiso 1 1 calc R . .
C10 C 0.5974(10) 0.1388(9) 0.5222(6) 0.066(3) Uani 1 1 d . . .
H10 H 0.6129 0.1312 0.5800 0.079 Uiso 1 1 calc R A .
C11 C 0.0636(9) 0.8925(8) 0.6790(6) 0.056(2) Uani 1 1 d . . .
H11 H 0.0886 0.9340 0.6472 0.067 Uiso 1 1 calc R . .
C12 C -0.0174(9) 0.7947(8) 0.6311(6) 0.054(2) Uani 1 1 d . . .
C13 C 0.9287(9) 0.1160(8) 0.9047(7) 0.060(3) Uani 1 1 d . . .
H13 H 0.9831 0.1741 0.9535 0.072 Uiso 1 1 calc R . .
C14 C 0.9150(11) 0.1124(10) 0.8183(8) 0.072(3) Uani 1 1 d . . .
H14 H 0.9620 0.1664 0.8092 0.087 Uiso 1 1 calc R . .
C15 C 0.8328(10) 0.0304(11) 0.7430(8) 0.068(3) Uani 1 1 d . A .
C16 C 0.7740(9) -0.0490(10) 0.7626(7) 0.067(3) Uani 1 1 d . . .
H16 H 0.7210 -0.1093 0.7150 0.080 Uiso 1 1 calc R . .
C17 C 0.7913(9) -0.0421(9) 0.8520(7) 0.060(3) Uani 1 1 d . . .
H17 H 0.7476 -0.0973 0.8625 0.072 Uiso 1 1 calc R . .
C18 C -0.0722(10) 0.7514(10) 0.5271(7) 0.071(3) Uani 1 1 d . . .
H18A H -0.1545 0.7176 0.5086 0.085 Uiso 1 1 calc R . .
H18B H -0.0714 0.8150 0.5037 0.085 Uiso 1 1 calc R . .
C19 C -0.0077(10) 0.6645(10) 0.4851(8) 0.080(4) Uani 1 1 d . A .
H19A H 0.0090 0.6107 0.5192 0.095 Uiso 1 1 calc R . .
H19B H -0.0589 0.6227 0.4225 0.095 Uiso 1 1 calc R . .
C20 C -0.0470(10) 0.7359(9) 0.6818(7) 0.069(3) Uani 1 1 d . . .
H20 H -0.0995 0.6676 0.6523 0.083 Uiso 1 1 calc R . .
C21 C 0.2484(10) 0.5826(9) 0.5246(7) 0.067(3) Uani 1 1 d . . .
H21 H 0.2458 0.6048 0.5833 0.080 Uiso 1 1 calc R A .
C22 C 0.1812(10) 0.6276(9) 0.4595(8) 0.064(3) Uani 1 1 d . A .
C23 C 0.1061(11) 0.7165(11) 0.4847(10) 0.087(4) Uani 1 1 d . . .
H23A H 0.1510 0.7698 0.5450 0.104 Uiso 1 1 calc R A .
H23B H 0.0886 0.7585 0.4411 0.104 Uiso 1 1 calc R . .
C24 C 0.7048(13) -0.0288(12) 0.4782(8) 0.094(5) Uani 1 1 d . . .
H24A H 0.7821 -0.0147 0.4739 0.113 Uiso 1 1 calc R A .
H24B H 0.6615 -0.0987 0.4299 0.113 Uiso 1 1 calc R . .
C25 C 0.7234(11) -0.0464(11) 0.5736(9) 0.081(3) Uani 1 1 d . A .
H25A H 0.6505 -0.0402 0.5861 0.097 Uiso 1 1 calc R . .
H25B H 0.7421 -0.1218 0.5717 0.097 Uiso 1 1 calc R . .
C26 C 0.8212(12) 0.0398(12) 0.6478(9) 0.087(4) Uani 1 1 d . . .
H26A H 0.8060 0.1152 0.6460 0.104 Uiso 1 1 calc R A .
H26B H 0.8954 0.0291 0.6383 0.104 Uiso 1 1 calc R . .
O1W O 0.5000 0.5000 0.0000 0.195(9) Uani 1 2 d S . .
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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N2 Cu1 N1 153.2(3) . .
N2 Cu1 O18 102.8(3) . .
N1 Cu1 O18 103.7(3) . .
N4 Cu2 N3 162.4(3) . 2_667
N4 Cu2 O14 99.8(3) . .
N3 Cu2 O14 97.5(3) 2_667 .
O9 V1 O10 107.8(3) . .
O9 V1 O11 109.6(3) . .
O10 V1 O11 79.3(3) . .
O9 V1 O7 109.3(3) . .
O10 V1 O7 89.6(2) . .
O11 V1 O7 141.1(2) . .
O9 V1 O5 109.1(3) . .
O10 V1 O5 143.1(2) . .
O11 V1 O5 88.8(3) . .
O7 V1 O5 78.1(2) . .
O9 V1 As3' 110.5(3) . .
O10 V1 As3' 46.5(3) . .
O11 V1 As3' 119.6(3) . .
O7 V1 As3' 43.8(3) . .
O5 V1 As3' 117.3(3) . .
O9 V1 As7' 112.7(3) . .
O10 V1 As7' 117.4(3) . .
O11 V1 As7' 43.4(3) . .
O7 V1 As7' 117.7(2) . .
O5 V1 As7' 45.9(2) . .
As3' V1 As7' 136.8(3) . .
O9 V1 V5 111.1(2) . .
O10 V1 V5 40.03(19) . .
O11 V1 V5 39.5(2) . .
O7 V1 V5 122.65(16) . .
O5 V1 V5 122.42(16) . .
As3' V1 V5 84.2(3) . .
As7' V1 V5 80.91(19) . .
O9 V1 V2 112.5(2) . .
O10 V1 V2 122.40(18) . .
O11 V1 V2 120.9(2) . .
O7 V1 V2 39.15(15) . .
O5 V1 V2 39.08(17) . .
As3' V1 V2 81.1(3) . .
As7' V1 V2 82.32(18) . .
V5 V1 V2 136.37(5) . .
O18 V2 O5 109.7(3) . .
O18 V2 O7 110.0(3) . .
O5 V2 O7 78.8(2) . .
O18 V2 O6 109.6(3) . 2_665
O5 V2 O6 88.7(2) . 2_665
O7 V2 O6 140.4(2) . 2_665
O18 V2 O12 109.6(3) . 2_665
O5 V2 O12 140.7(2) . 2_665
O7 V2 O12 87.4(2) . 2_665
O6 V2 O12 78.9(2) 2_665 2_665
O18 V2 V8 112.3(2) . 2_665
O5 V2 V8 46.86(16) . 2_665
O7 V2 V8 119.18(18) . 2_665
O6 V2 V8 42.41(17) 2_665 2_665
O12 V2 V8 115.88(18) 2_665 2_665
O18 V2 V9 113.9(2) . .
O5 V2 V9 114.86(17) . .
O7 V2 V9 42.13(17) . .
O6 V2 V9 117.45(17) 2_665 .
O12 V2 V9 45.53(17) 2_665 .
V8 V2 V9 133.80(9) 2_665 .
O18 V2 V1 113.5(2) . .
O5 V2 V1 39.76(15) . .
O7 V2 V1 39.20(16) . .
O6 V2 V1 120.94(17) 2_665 .
O12 V2 V1 119.64(17) 2_665 .
V8 V2 V1 83.92(8) 2_665 .
V9 V2 V1 78.66(7) . .
O18 V2 V4 112.7(2) . 2_665
O5 V2 V4 121.03(16) . 2_665
O7 V2 V4 120.17(16) . 2_665
O6 V2 V4 39.34(16) 2_665 2_665
O12 V2 V4 39.74(16) 2_665 2_665
V8 V2 V4 79.56(7) 2_665 2_665
V9 V2 V4 82.41(7) . 2_665
V1 V2 V4 133.78(5) . 2_665
O17 V3 O21 108.7(3) . .
O17 V3 O22 108.0(3) . .
O21 V3 O22 84.0(3) . .
O17 V3 O8 109.9(3) . 2_665
O21 V3 O8 84.7(3) . 2_665
O22 V3 O8 142.1(3) . 2_665
O17 V3 O16 109.9(3) . 2_665
O21 V3 O16 141.4(3) . 2_665
O22 V3 O16 82.9(3) . 2_665
O8 V3 O16 83.8(3) 2_665 2_665
O17 V3 V9 112.2(2) . 2_665
O21 V3 V9 43.4(2) . 2_665
O22 V3 V9 121.1(2) . 2_665
O8 V3 V9 41.62(19) 2_665 2_665
O16 V3 V9 119.27(19) 2_665 2_665
O17 V3 V7 117.4(3) . 2_665
O21 V3 V7 117.1(2) . 2_665
O22 V3 V7 116.8(2) . 2_665
O8 V3 V7 41.4(2) 2_665 2_665
O16 V3 V7 42.35(18) 2_665 2_665
V9 V3 V7 79.50(8) 2_665 2_665
O17 V3 V8 112.4(2) . 2_665
O21 V3 V8 120.0(2) . 2_665
O22 V3 V8 42.9(3) . 2_665
O8 V3 V8 118.1(2) 2_665 2_665
O16 V3 V8 40.28(18) 2_665 2_665
V9 V3 V8 135.35(9) 2_665 2_665
V7 V3 V8 79.06(8) 2_665 2_665
O14 V4 O6 108.9(3) 2_676 .
O14 V4 O13 109.1(3) 2_676 .
O6 V4 O13 89.2(2) . .
O14 V4 O15 108.5(3) 2_676 .
O6 V4 O15 142.6(2) . .
O13 V4 O15 78.6(3) . .
O14 V4 O12 109.2(3) 2_676 .
O6 V4 O12 78.6(2) . .
O13 V4 O12 141.6(3) . .
O15 V4 O12 89.3(3) . .
O14 V4 V2 112.0(2) 2_676 2_665
O6 V4 V2 39.31(16) . 2_665
O13 V4 V2 121.80(19) . 2_665
O15 V4 V2 122.5(2) . 2_665
O12 V4 V2 39.48(17) . 2_665
O14 V4 V5 111.8(2) 2_676 .
O6 V4 V5 122.18(17) . .
O13 V4 V5 39.5(2) . .
O15 V4 V5 39.3(2) . .
O12 V4 V5 121.78(17) . .
V2 V4 V5 136.18(6) 2_665 .
O20 V5 O11 109.7(4) . .
O20 V5 O15 109.8(3) . .
O11 V5 O15 88.1(3) . .
O20 V5 O10 109.3(3) . .
O11 V5 O10 78.8(3) . .
O15 V5 O10 140.8(3) . .
O20 V5 O13 111.3(4) . .
O11 V5 O13 139.0(3) . .
O15 V5 O13 78.2(3) . .
O10 V5 O13 87.9(3) . .
O20 V5 V6 112.9(4) . .
O11 V5 V6 44.67(19) . .
O15 V5 V6 43.9(2) . .
O10 V5 V6 117.4(2) . .
O13 V5 V6 115.6(2) . .
O20 V5 V7 116.3(4) . .
O11 V5 V7 115.2(2) . .
O15 V5 V7 114.4(2) . .
O10 V5 V7 44.75(18) . .
O13 V5 V7 43.3(2) . .
V6 V5 V7 130.85(10) . .
O20 V5 V1 112.2(3) . .
O11 V5 V1 39.55(18) . .
O15 V5 V1 120.99(19) . .
O10 V5 V1 39.53(18) . .
O13 V5 V1 120.11(19) . .
V6 V5 V1 81.91(8) . .
V7 V5 V1 80.83(8) . .
O20 V5 V4 114.2(3) . .
O11 V5 V4 119.61(19) . .
O15 V5 V4 39.18(19) . .
O10 V5 V4 120.26(17) . .
O13 V5 V4 39.17(19) . .
V6 V5 V4 80.27(8) . .
V7 V5 V4 79.34(8) . .
V1 V5 V4 133.65(6) . .
As1' V6 O26 53.2(6) . .
As1' V6 As1 17.6(5) . .
O26 V6 As1 68.9(4) . .
As1' V6 O15 74.5(6) . .
O26 V6 O15 115.6(5) . .
As1 V6 O15 69.1(3) . .
As1' V6 O11 156.1(6) . .
O26 V6 O11 115.6(5) . .
As1 V6 O11 165.1(3) . .
O15 V6 O11 96.8(3) . .
As1' V6 As7 118.4(5) . .
O26 V6 As7 69.7(4) . .
As1 V6 As7 127.2(2) . .
O15 V6 As7 161.8(3) . .
O11 V6 As7 66.1(2) . .
As1' V6 O21 62.6(5) . .
O26 V6 O21 98.6(5) . .
As1 V6 O21 46.8(2) . .
O15 V6 O21 85.6(3) . .
O11 V6 O21 140.1(3) . .
As7 V6 O21 111.4(2) . .
As1' V6 As7' 137.8(6) . .
O26 V6 As7' 96.3(5) . .
As1 V6 As7' 137.5(3) . .
O15 V6 As7' 146.3(3) . .
O11 V6 As7' 57.4(3) . .
As7 V6 As7' 27.7(2) . .
O21 V6 As7' 100.8(3) . .
As1' V6 O22 117.6(6) . .
O26 V6 O22 97.2(6) . .
As1 V6 O22 111.3(2) . .
O15 V6 O22 143.2(3) . .
O11 V6 O22 82.8(3) . .
As7 V6 O22 45.08(18) . .
O21 V6 O22 72.6(2) . .
As7' V6 O22 28.4(2) . .
As1' V6 V5 116.8(5) . .
O26 V6 V5 124.5(6) . .
As1 V6 V5 116.91(17) . .
O15 V6 V5 49.0(2) . .
O11 V6 V5 48.4(2) . .
As7 V6 V5 113.09(14) . .
O21 V6 V5 126.0(2) . .
As7' V6 V5 104.4(2) . .
O22 V6 V5 124.4(2) . .
As6' V7 O23 47.5(6) . .
As6' V7 As4 110.9(7) . .
O23 V7 As4 65.4(3) . .
As6' V7 O13 76.2(6) . .
O23 V7 O13 109.0(4) . .
As4 V7 O13 150.6(3) . .
As6' V7 As6 16.6(6) . .
O23 V7 As6 64.1(3) . .
As4 V7 As6 126.99(19) . .
O13 V7 As6 64.5(3) . .
As6' V7 O10 146.4(6) . .
O23 V7 O10 109.6(4) . .
As4 V7 O10 63.6(2) . .
O13 V7 O10 94.3(3) . .
As6 V7 O10 151.3(3) . .
As6' V7 O8 119.6(6) . .
O23 V7 O8 100.8(4) . .
As4 V7 O8 54.20(19) . .
O13 V7 O8 148.3(3) . .
As6 V7 O8 123.0(2) . .
O10 V7 O8 85.4(3) . .
As6' V7 O16 63.5(6) . .
O23 V7 O16 99.3(4) . .
As4 V7 O16 123.0(3) . .
O13 V7 O16 86.1(3) . .
As6 V7 O16 53.5(2) . .
O10 V7 O16 149.1(3) . .
O8 V7 O16 78.7(3) . .
As6' V7 As3' 139.8(7) . .
O23 V7 As3' 100.2(5) . .
As4 V7 As3' 36.1(3) . .
O13 V7 As3' 143.9(4) . .
As6 V7 As3' 150.7(4) . .
O10 V7 As3' 55.3(4) . .
O8 V7 As3' 31.7(4) . .
O16 V7 As3' 110.0(4) . .
As6' V7 V5 114.2(6) . .
O23 V7 V5 116.2(4) . .
As4 V7 V5 107.20(14) . .
O13 V7 V5 47.3(2) . .
As6 V7 V5 108.29(17) . .
O10 V7 V5 47.1(2) . .
O8 V7 V5 126.2(2) . .
O16 V7 V5 127.3(2) . .
As3' V7 V5 100.9(4) . .
As6' V7 V3 92.3(5) . 2_665
O23 V7 V3 103.2(4) . 2_665
As4 V7 V3 88.08(13) . 2_665
O13 V7 V3 120.8(2) . 2_665
As6 V7 V3 88.70(14) . 2_665
O10 V7 V3 119.6(2) . 2_665
O8 V7 V3 38.77(17) . 2_665
O16 V7 V3 39.92(19) . 2_665
As3' V7 V3 70.2(3) . 2_665
V5 V7 V3 140.52(12) . 2_665
O27 V8 As5 76.4(4) 2_665 .
O27 V8 As8 73.1(4) 2_665 2_665
As5 V8 As8 144.4(2) . 2_665
O27 V8 O6 117.9(5) 2_665 .
As5 V8 O6 65.6(2) . .
As8 V8 O6 147.0(2) 2_665 .
O27 V8 O5 109.2(4) 2_665 2_665
As5 V8 O5 153.9(3) . 2_665
As8 V8 O5 57.33(19) 2_665 2_665
O6 V8 O5 90.2(3) . 2_665
O27 V8 O16 107.9(5) 2_665 .
As5 V8 O16 52.5(2) . .
As8 V8 O16 121.7(2) 2_665 .
O6 V8 O16 86.1(3) . .
O5 V8 O16 139.7(3) 2_665 .
O27 V8 O22 103.1(5) 2_665 2_665
As5 V8 O22 124.0(2) . 2_665
As8 V8 O22 48.74(19) 2_665 2_665
O6 V8 O22 138.8(3) . 2_665
O5 V8 O22 80.4(3) 2_665 2_665
O16 V8 O22 76.4(3) . 2_665
O27 V8 As7' 99.1(5) 2_665 2_665
As5 V8 As7' 150.4(3) . 2_665
As8 V8 As7' 28.24(19) 2_665 2_665
O6 V8 As7' 137.0(3) . 2_665
O5 V8 As7' 55.4(3) 2_665 2_665
O16 V8 As7' 103.5(3) . 2_665
O22 V8 As7' 27.6(2) 2_665 2_665
O27 V8 V2 118.5(5) 2_665 2_665
As5 V8 V2 109.19(17) . 2_665
As8 V8 V2 101.42(13) 2_665 2_665
O6 V8 V2 45.57(17) . 2_665
O5 V8 V2 45.22(18) 2_665 2_665
O16 V8 V2 123.9(2) . 2_665
O22 V8 V2 118.4(2) 2_665 2_665
As7' V8 V2 98.7(2) 2_665 2_665
O27 V8 V3 106.9(5) 2_665 2_665
As5 V8 V3 87.50(13) . 2_665
As8 V8 V3 84.03(12) 2_665 2_665
O6 V8 V3 118.01(19) . 2_665
O5 V8 V3 113.75(19) 2_665 2_665
O16 V8 V3 38.59(19) . 2_665
O22 V8 V3 38.00(18) 2_665 2_665
As7' V8 V3 65.5(2) 2_665 2_665
V2 V8 V3 134.01(11) 2_665 2_665
O24 V9 As2' 55.9(6) 2_665 2_665
O24 V9 As3 75.6(4) 2_665 .
As2' V9 As3 131.1(5) 2_665 .
O24 V9 As2 71.4(4) 2_665 2_665
As2' V9 As2 16.7(5) 2_665 2_665
As3 V9 As2 144.4(2) . 2_665
O24 V9 O7 115.2(4) 2_665 .
As2' V9 O7 139.5(6) 2_665 .
As3 V9 O7 64.48(19) . .
As2 V9 O7 143.5(2) 2_665 .
O24 V9 O12 108.2(4) 2_665 2_665
As2' V9 O12 63.5(5) 2_665 2_665
As3 V9 O12 149.7(2) . 2_665
As2 V9 O12 57.3(2) 2_665 2_665
O7 V9 O12 87.9(3) . 2_665
O24 V9 As3' 105.2(6) 2_665 .
As2' V9 As3' 156.9(6) 2_665 .
As3 V9 As3' 30.8(4) . .
As2 V9 As3' 159.0(4) 2_665 .
O7 V9 As3' 57.2(4) . .
O12 V9 As3' 139.6(4) 2_665 .
O24 V9 O8 107.4(4) 2_665 .
As2' V9 O8 132.0(5) 2_665 .
As3 V9 O8 54.02(19) . .
As2 V9 O8 125.5(2) 2_665 .
O7 V9 O8 88.3(3) . .
O12 V9 O8 142.2(3) 2_665 .
As3' V9 O8 34.5(4) . .
O24 V9 O21 103.7(4) 2_665 2_665
As2' V9 O21 66.0(6) 2_665 2_665
As3 V9 O21 127.5(3) . 2_665
As2 V9 O21 51.6(2) 2_665 2_665
O7 V9 O21 141.1(3) . 2_665
O12 V9 O21 81.7(3) 2_665 2_665
As3' V9 O21 111.7(4) . 2_665
O8 V9 O21 78.0(3) . 2_665
O24 V9 V2 116.8(4) 2_665 .
As2' V9 V2 100.9(5) 2_665 .
As3 V9 V2 106.39(15) . .
As2 V9 V2 100.01(15) 2_665 .
O7 V9 V2 43.90(16) . .
O12 V9 V2 44.27(18) 2_665 .
As3' V9 V2 99.9(4) . .
O8 V9 V2 124.6(2) . .
O21 V9 V2 119.0(2) 2_665 .
O24 V9 V3 106.3(4) 2_665 2_665
As2' V9 V3 97.6(5) 2_665 2_665
As3 V9 V3 89.71(14) . 2_665
As2 V9 V3 87.19(13) 2_665 2_665
O7 V9 V3 121.5(2) . 2_665
O12 V9 V3 116.67(19) 2_665 2_665
As3' V9 V3 73.7(3) . 2_665
O8 V9 V3 39.33(17) . 2_665
O21 V9 V3 39.01(19) 2_665 2_665
V2 V9 V3 136.47(11) . 2_665
O21 As1 V6 79.8(3) . .
O21 As1 As2 61.3(3) . .
V6 As1 As2 131.7(2) . .
O21 As1 O26 107.4(5) . .
V6 As1 O26 47.0(3) . .
As2 As1 O26 165.9(5) . .
O21 As1 O15 95.9(3) . .
V6 As1 O15 56.1(2) . .
As2 As1 O15 98.6(2) . .
O26 As1 O15 90.6(4) . .
O21 As2 As1 53.7(3) . .
O21 As2 O12 97.0(3) . .
As1 As2 O12 109.6(2) . .
O21 As2 V9 72.1(3) . 2_665
As1 As2 V9 125.0(2) . 2_665
O12 As2 V9 65.2(2) . 2_665
O21 As2 O24 98.6(4) . .
As1 As2 O24 144.7(3) . .
O12 As2 O24 93.7(3) . .
V9 As2 O24 42.6(3) 2_665 .
V9 As3 O8 78.7(2) . .
V9 As3 O24 48.0(3) . 2_665
O8 As3 O24 106.4(4) . 2_665
V9 As3 O7 66.7(2) . .
O8 As3 O7 101.4(3) . .
O24 As3 O7 98.7(3) 2_665 .
V9 As3 As4 130.58(15) . .
O8 As3 As4 54.5(2) . .
O24 As3 As4 152.0(3) 2_665 .
O7 As3 As4 104.83(19) . .
O16 As6 O23 102.0(4) . .
O16 As6 V7 70.8(2) . .
O23 As6 V7 49.7(2) . .
O16 As6 O13 91.8(3) . .
O23 As6 O13 93.6(3) . .
V7 As6 O13 57.7(2) . .
O16 As6 As5 49.9(2) . .
O23 As6 As5 150.0(3) . .
V7 As6 As5 115.52(17) . .
O13 As6 As5 97.2(2) . .
O22 As7 As8 59.1(3) . .
O22 As7 V6 80.7(3) . .
As8 As7 V6 131.65(14) . .
O22 As7 O26 106.0(5) . .
As8 As7 O26 162.7(4) . .
V6 As7 O26 45.1(2) . .
O22 As7 O11 96.6(3) . .
As8 As7 O11 99.8(2) . .
V6 As7 O11 56.53(19) . .
O26 As7 O11 90.3(4) . .
O26 As1' V6 69.0(7) . .
O26 As1' O15 119.5(10) . .
V6 As1' O15 64.5(5) . .
O26 As1' O21 119.7(10) . .
V6 As1' O21 80.9(5) . .
O15 As1' O21 88.9(5) . .
O24 As2' V9 61.8(7) . 2_665
O24 As2' O12 121.5(9) . .
V9 As2' O12 74.8(5) 2_665 .
O24 As2' O21 113.7(8) . .
V9 As2' O21 75.1(5) 2_665 .
O12 As2' O21 88.6(5) . .
O8 As3' As4 86.8(8) . .
O8 As3' O7 122.8(10) . .
As4 As3' O7 148.9(9) . .
O8 As3' O10 112.2(9) . .
As4 As3' O10 67.7(6) . .
O7 As3' O10 90.2(6) . .
O8 As3' V9 73.1(7) . .
As4 As3' V9 152.6(9) . .
O7 As3' V9 56.9(4) . .
O10 As3' V9 137.0(7) . .
O8 As3' V7 63.6(7) . .
As4 As3' V7 50.4(5) . .
O7 As3' V7 130.7(7) . .
O10 As3' V7 51.5(4) . .
V9 As3' V7 129.0(6) . .
O8 As3' V1 136.7(9) . .
As4 As3' V1 107.2(7) . .
O7 As3' V1 45.5(3) . .
O10 As3' V1 45.3(3) . .
V9 As3' V1 100.2(5) . .
V7 As3' V1 93.7(5) . .
O23 As6' V7 77.5(10) . .
O23 As6' O16 129.4(10) . .
V7 As6' O16 79.5(5) . .
O23 As6' O13 120.5(9) . .
V7 As6' O13 64.5(5) . .
O16 As6' O13 87.7(5) . .
O23 As6' As4 39.3(6) . .
V7 As6' As4 40.9(5) . .
O16 As6' As4 99.2(5) . .
O13 As6' As4 100.8(5) . .
O23 As6' As5 158.2(9) . .
V7 As6' As5 109.6(6) . .
O16 As6' As5 38.2(3) . .
O13 As6' As5 80.4(5) . .
As4 As6' As5 137.3(4) . .
O22 As7' As8 98.0(8) . .
O22 As7' O11 122.7(8) . .
As8 As7' O11 137.4(6) . .
O22 As7' O5 114.7(7) . .
As8 As7' O5 63.5(4) . .
O11 As7' O5 86.2(4) . .
O22 As7' V6 78.1(6) . .
As8 As7' V6 165.6(6) . .
O11 As7' V6 51.7(3) . .
O5 As7' V6 130.8(4) . .
O22 As7' V8 66.9(6) . 2_665
As8 As7' V8 50.0(4) . 2_665
O11 As7' V8 132.2(4) . 2_665
O5 As7' V8 53.4(3) . 2_665
V6 As7' V8 136.7(4) . 2_665
O22 As7' V1 135.7(6) . .
As8 As7' V1 99.6(5) . .
O11 As7' V1 42.9(2) . .
O5 As7' V1 43.7(2) . .
V6 As7' V1 92.7(3) . .
V8 As7' V1 95.0(3) 2_665 .
As3' As4 O8 43.2(5) . .
As3' As4 V7 93.5(6) . .
O8 As4 V7 71.4(2) . .
As3' As4 O23 141.2(6) . .
O8 As4 O23 103.1(3) . .
V7 As4 O23 50.7(3) . .
As3' As4 O10 71.5(6) . .
O8 As4 O10 92.8(3) . .
V7 As4 O10 60.9(2) . .
O23 As4 O10 97.1(3) . .
As3' As4 As3 26.5(6) . .
O8 As4 As3 51.1(2) . .
V7 As4 As3 116.72(13) . .
O23 As4 As3 152.2(3) . .
O10 As4 As3 94.72(19) . .
As3' As4 As6' 117.5(6) . .
O8 As4 As6' 83.5(3) . .
V7 As4 As6' 28.2(3) . .
O23 As4 As6' 24.0(3) . .
O10 As4 As6' 84.4(3) . .
As3 As4 As6' 134.6(2) . .
V8 As5 O16 82.1(2) . .
V8 As5 O27 47.7(3) . 2_665
O16 As5 O27 109.5(5) . 2_665
V8 As5 O6 66.4(2) . .
O16 As5 O6 100.2(3) . .
O27 As5 O6 99.4(3) 2_665 .
V8 As5 As6 134.26(16) . .
O16 As5 As6 55.4(2) . .
O27 As5 As6 155.5(3) 2_665 .
O6 As5 As6 102.2(2) . .
V8 As5 As6' 124.9(3) . .
O16 As5 As6' 45.4(3) . .
O27 As5 As6' 149.3(4) 2_665 .
O6 As5 As6' 102.4(3) . .
As6 As5 As6' 10.0(3) . .
As7' As8 O22 40.0(5) . .
As7' As8 As7 32.5(4) . .
O22 As8 As7 55.2(3) . .
As7' As8 V8 101.7(4) . 2_665
O22 As8 V8 75.9(3) . 2_665
As7 As8 V8 129.88(14) . 2_665
As7' As8 O5 83.0(4) . .
O22 As8 O5 99.4(3) . .
As7 As8 O5 109.0(2) . .
V8 As8 O5 65.5(2) 2_665 .
As7' As8 O27 138.1(5) . .
O22 As8 O27 100.9(4) . .
As7 As8 O27 149.1(3) . .
V8 As8 O27 41.3(3) 2_665 .
O5 As8 O27 92.9(3) . .
As8 O5 V2 142.4(3) . .
As8 O5 V1 116.2(3) . .
V2 O5 V1 101.2(2) . .
As8 O5 V8 57.15(17) . 2_665
V2 O5 V8 87.9(2) . 2_665
V1 O5 V8 152.7(3) . 2_665
As8 O5 As7' 33.5(3) . .
V2 O5 As7' 151.7(4) . .
V1 O5 As7' 90.4(3) . .
V8 O5 As7' 71.2(3) 2_665 .
As5 O6 V8 47.92(18) . .
As5 O6 V2 136.7(3) . 2_665
V8 O6 V2 92.0(2) . 2_665
As5 O6 V4 121.8(3) . .
V8 O6 V4 152.4(3) . .
V2 O6 V4 101.3(3) 2_665 .
As3 O7 V9 48.80(17) . .
As3 O7 As3' 33.3(4) . .
V9 O7 As3' 65.8(5) . .
As3 O7 V2 139.1(3) . .
V9 O7 V2 94.0(2) . .
As3' O7 V2 154.8(5) . .
As3 O7 V1 119.0(3) . .
V9 O7 V1 149.0(3) . .
As3' O7 V1 90.7(5) . .
V2 O7 V1 101.6(2) . .
As3' O8 As3 38.9(7) . .
As3' O8 As4 50.0(7) . .
As3 O8 As4 74.4(2) . .
As3' O8 V3 169.5(8) . 2_665
As3 O8 V3 138.0(4) . 2_665
As4 O8 V3 140.0(3) . 2_665
As3' O8 V9 72.4(7) . .
As3 O8 V9 47.29(18) . .
As4 O8 V9 119.7(3) . .
V3 O8 V9 99.0(3) 2_665 .
As3' O8 V7 84.7(8) . .
As3 O8 V7 122.2(3) . .
As4 O8 V7 54.4(2) . .
V3 O8 V7 99.8(3) 2_665 .
V9 O8 V7 144.2(3) . .
V7 O10 As4 55.6(2) . .
V7 O10 V1 149.1(4) . .
As4 O10 V1 122.3(3) . .
V7 O10 V5 88.1(3) . .
As4 O10 V5 137.2(3) . .
V1 O10 V5 100.4(3) . .
V7 O10 As3' 73.2(4) . .
As4 O10 As3' 40.7(4) . .
V1 O10 As3' 88.3(4) . .
V5 O10 As3' 154.9(5) . .
V6 O11 V5 87.0(3) . .
V6 O11 V1 154.5(4) . .
V5 O11 V1 101.0(3) . .
V6 O11 As7' 70.9(4) . .
V5 O11 As7' 153.2(4) . .
V1 O11 As7' 93.7(4) . .
V6 O11 As7 57.3(2) . .
V5 O11 As7 141.7(3) . .
V1 O11 As7 117.2(3) . .
As7' O11 As7 30.0(3) . .
As2 O12 As2' 20.7(4) . .
As2 O12 V2 143.7(3) . 2_665
As2' O12 V2 123.0(5) . 2_665
As2 O12 V4 115.6(3) . .
As2' O12 V4 136.2(5) . .
V2 O12 V4 100.8(3) 2_665 .
As2 O12 V9 57.4(2) . 2_665
As2' O12 V9 41.8(4) . 2_665
V2 O12 V9 90.2(3) 2_665 2_665
V4 O12 V9 151.0(3) . 2_665
V7 O13 V4 149.5(4) . .
V7 O13 As6 57.8(2) . .
V4 O13 As6 118.4(3) . .
V7 O13 V5 89.4(3) . .
V4 O13 V5 101.4(3) . .
As6 O13 V5 140.1(3) . .
V7 O13 As6' 39.3(4) . .
V4 O13 As6' 138.5(5) . .
As6 O13 As6' 20.7(4) . .
V5 O13 As6' 120.0(5) . .
V4 O14 Cu2 174.1(4) 2_676 .
V6 O15 As1' 40.9(4) . .
V6 O15 V4 151.9(4) . .
As1' O15 V4 136.6(5) . .
V6 O15 V5 87.2(3) . .
As1' O15 V5 121.7(5) . .
V4 O15 V5 101.5(3) . .
V6 O15 As1 54.8(2) . .
As1' O15 As1 19.0(3) . .
V4 O15 As1 117.8(3) . .
V5 O15 As1 140.1(3) . .
As5 O16 As6 74.7(3) . .
As5 O16 As6' 96.4(6) . .
As6 O16 As6' 21.7(4) . .
As5 O16 V3 138.3(4) . 2_665
As6 O16 V3 139.8(4) . 2_665
As6' O16 V3 120.3(5) . 2_665
As5 O16 V8 45.46(18) . .
As6 O16 V8 118.0(4) . .
As6' O16 V8 138.6(6) . .
V3 O16 V8 101.1(3) 2_665 .
As5 O16 V7 123.9(4) . .
As6 O16 V7 55.7(2) . .
As6' O16 V7 37.0(4) . .
V3 O16 V7 97.7(3) 2_665 .
V8 O16 V7 144.0(4) . .
V2 O18 Cu1 147.9(4) . .
As1 O21 As2 65.0(3) . .
As1 O21 V3 137.9(4) . .
As2 O21 V3 142.8(4) . .
As1 O21 As1' 18.3(3) . .
As2 O21 As1' 83.0(5) . .
V3 O21 As1' 124.4(5) . .
As1 O21 As2' 83.6(5) . .
As2 O21 As2' 18.8(3) . .
V3 O21 As2' 126.1(5) . .
As1' O21 As2' 101.7(6) . .
As1 O21 V9 120.6(4) . 2_665
As2 O21 V9 56.3(2) . 2_665
V3 O21 V9 97.6(3) . 2_665
As1' O21 V9 137.5(5) . 2_665
As2' O21 V9 38.9(4) . 2_665
As1 O21 V6 53.5(2) . .
As2 O21 V6 112.5(4) . .
V3 O21 V6 103.2(3) . .
As1' O21 V6 36.5(4) . .
As2' O21 V6 130.6(5) . .
V9 O21 V6 147.4(4) 2_665 .
As7' O22 As7 39.1(5) . .
As7' O22 As8 42.0(5) . .
As7 O22 As8 65.7(3) . .
As7' O22 V3 172.8(8) . .
As7 O22 V3 138.7(4) . .
As8 O22 V3 145.1(5) . .
As7' O22 V8 85.6(6) . 2_665
As7 O22 V8 120.0(3) . 2_665
As8 O22 V8 55.4(2) . 2_665
V3 O22 V8 99.1(4) . 2_665
As7' O22 V6 73.5(7) . .
As7 O22 V6 54.2(3) . .
As8 O22 V6 114.2(4) . .
V3 O22 V6 99.9(3) . .
V8 O22 V6 146.8(3) 2_665 .
As6' O23 V7 55.0(7) . .
As6' O23 As4 116.8(8) . .
V7 O23 As4 64.0(3) . .
As6' O23 As6 11.2(6) . .
V7 O23 As6 66.2(3) . .
As4 O23 As6 127.7(4) . .
As2' O24 V9 62.3(7) . 2_665
As2' O24 As3 118.4(7) . 2_665
V9 O24 As3 56.5(3) 2_665 2_665
As2' O24 As2 7.3(6) . .
V9 O24 As2 66.0(4) 2_665 .
As3 O24 As2 121.1(5) 2_665 .
As1' O26 V6 57.9(6) . .
As1' O26 As1 10.2(7) . .
V6 O26 As1 64.1(4) . .
As1' O26 As7 118.5(8) . .
V6 O26 As7 65.2(4) . .
As1 O26 As7 119.8(6) . .
V8 O27 As5 55.8(4) 2_665 2_665
V8 O27 As8 65.6(4) 2_665 .
As5 O27 As8 118.8(6) 2_665 .
C4 N1 C1 117.5(7) . .
C4 N1 Cu1 119.9(6) . .
C1 N1 Cu1 122.6(6) . .
C6 N2 C5 116.2(8) . .
C6 N2 Cu1 122.7(6) . .
C5 N2 Cu1 121.0(6) . .
C17 N3 C13 116.5(8) . .
C17 N3 Cu2 124.5(7) . 2_667
C13 N3 Cu2 118.6(6) . 2_667
C9 N4 C8 115.7(8) . .
C9 N4 Cu2 121.8(7) . .
C8 N4 Cu2 122.1(6) . .
N1 C1 C2 122.0(8) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
C1 C2 C3 120.8(8) . .
C1 C2 H2 119.6 . .
C3 C2 H2 119.6 . .
C10 C3 C2 115.4(9) . .
C10 C3 C24 125.6(9) . .
C2 C3 C24 118.9(8) . .
N1 C4 C10 123.2(8) . .
N1 C4 H4 118.4 . .
C10 C4 H4 118.4 . .
N2 C5 C21 123.5(9) . .
N2 C5 H5 118.2 . .
C21 C5 H5 118.2 . .
N2 C6 C7 124.3(9) . .
N2 C6 H6 117.9 . .
C7 C6 H6 117.9 . .
C6 C7 C22 119.3(9) . .
C6 C7 H7 120.4 . .
C22 C7 H7 120.4 . .
N4 C8 C11 122.6(9) . .
N4 C8 H8 118.7 . .
C11 C8 H8 118.7 . .
N4 C9 C20 123.2(10) . .
N4 C9 H9 118.4 . .
C20 C9 H9 118.4 . .
C4 C10 C3 121.1(9) . .
C4 C10 H10 119.5 . .
C3 C10 H10 119.5 . .
C12 C11 C8 121.2(10) . .
C12 C11 H11 119.4 . .
C8 C11 H11 119.4 . .
C20 C12 C11 116.3(9) . .
C20 C12 C18 120.5(10) . .
C11 C12 C18 123.2(10) . .
N3 C13 C14 122.5(10) . .
N3 C13 H13 118.8 . .
C14 C13 H13 118.8 . .
C13 C14 C15 121.5(10) . .
C13 C14 H14 119.2 . .
C15 C14 H14 119.2 . .
C16 C15 C14 115.1(10) . .
C16 C15 C26 128.6(12) . .
C14 C15 C26 116.3(11) . .
C15 C16 C17 121.2(10) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
N3 C17 C16 123.2(9) . .
N3 C17 H17 118.4 . .
C16 C17 H17 118.4 . .
C19 C18 C12 112.7(10) . .
C19 C18 H18A 109.0 . .
C12 C18 H18A 109.0 . .
C19 C18 H18B 109.0 . .
C12 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C23 C19 C18 112.8(10) . .
C23 C19 H19A 109.0 . .
C18 C19 H19A 109.0 . .
C23 C19 H19B 109.0 . .
C18 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
C12 C20 C9 120.8(10) . .
C12 C20 H20 119.6 . .
C9 C20 H20 119.6 . .
C5 C21 C22 119.7(9) . .
C5 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C7 C22 C21 117.1(9) . .
C7 C22 C23 123.1(10) . .
C21 C22 C23 119.8(10) . .
C19 C23 C22 112.0(10) . .
C19 C23 H23A 109.2 . .
C22 C23 H23A 109.2 . .
C19 C23 H23B 109.2 . .
C22 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
C3 C24 C25 114.7(9) . .
C3 C24 H24A 108.6 . .
C25 C24 H24A 108.6 . .
C3 C24 H24B 108.6 . .
C25 C24 H24B 108.6 . .
H24A C24 H24B 107.6 . .
C26 C25 C24 110.5(11) . .
C26 C25 H25A 109.5 . .
C24 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 108.1 . .
C25 C26 C15 111.0(11) . .
C25 C26 H26A 109.4 . .
C15 C26 H26A 109.4 . .
C25 C26 H26B 109.4 . .
C15 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.906(7) .
Cu1 N1 1.913(7) .
Cu1 O18 2.139(6) .
Cu2 N4 1.900(7) .
Cu2 N3 1.910(7) 2_667
Cu2 O14 2.335(6) .
V1 O9 1.601(5) .
V1 O10 1.943(6) .
V1 O11 1.948(6) .
V1 O7 1.951(6) .
V1 O5 1.971(5) .
V1 As3' 2.734(13) .
V1 As7' 2.853(8) .
V1 V5 3.003(2) .
V1 V2 3.0237(19) .
V2 O18 1.617(5) .
V2 O5 1.943(6) .
V2 O7 1.949(5) .
V2 O6 1.955(5) 2_665
V2 O12 1.958(6) 2_665
V2 V8 2.735(3) 2_665
V2 V9 2.804(3) .
V2 V4 3.0246(18) 2_665
V3 O17 1.578(6) .
V3 O21 1.946(7) .
V3 O22 1.966(6) .
V3 O8 1.967(6) 2_665
V3 O16 2.004(7) 2_665
V3 V9 3.064(3) 2_665
V3 V7 3.095(3) 2_665
V3 V8 3.153(3) 2_665
V4 O14 1.598(6) 2_676
V4 O6 1.956(5) .
V4 O13 1.956(6) .
V4 O15 1.957(6) .
V4 O12 1.968(6) .
V4 V2 3.0247(18) 2_665
V4 V5 3.0362(19) .
V5 O20 1.584(6) .
V5 O11 1.945(7) .
V5 O15 1.963(7) .
V5 O10 1.964(6) .
V5 O13 1.968(7) .
V5 V6 2.598(3) .
V5 V7 2.679(4) .
V6 As1' 1.309(12) .
V6 O26 1.442(8) .
V6 As1 1.775(4) .
V6 O15 1.803(7) .
V6 O11 1.829(6) .
V6 As7 1.846(3) .
V6 O21 2.173(8) .
V6 As7' 2.201(10) .
V6 O22 2.247(9) .
V7 As6' 1.287(13) .
V7 O23 1.534(7) .
V7 As4 1.782(3) .
V7 O13 1.836(7) .
V7 As6 1.839(4) .
V7 O10 1.887(6) .
V7 O8 2.078(7) .
V7 O16 2.104(7) .
V7 As3' 2.309(14) .
V7 V3 3.095(3) 2_665
V8 O27 1.337(10) 2_665
V8 As5 1.495(4) .
V8 As8 1.844(4) 2_665
V8 O6 1.846(6) .
V8 O5 1.997(6) 2_665
V8 O16 2.077(6) .
V8 O22 2.173(9) 2_665
V8 As7' 2.355(9) 2_665
V8 V2 2.735(3) 2_665
V8 V3 3.153(3) 2_665
V9 O24 1.377(9) 2_665
V9 As2' 1.382(12) 2_665
V9 As3 1.545(4) .
V9 As2 1.857(4) 2_665
V9 O7 1.886(6) .
V9 O12 2.001(6) 2_665
V9 As3' 2.053(15) .
V9 O8 2.061(7) .
V9 O21 2.124(7) 2_665
V9 V3 3.064(3) 2_665
As1 O21 1.609(8) .
As1 As2 1.810(4) .
As1 O26 1.840(9) .
As1 O15 2.029(8) .
As2 O21 1.751(7) .
As2 O12 1.855(6) .
As2 V9 1.857(4) 2_665
As2 O24 1.927(9) .
As3 O8 1.701(6) .
As3 O24 1.795(9) 2_665
As3 O7 1.852(5) .
As3 As4 2.105(3) .
As6 O16 1.790(7) .
As6 O23 1.808(8) .
As6 O13 1.962(8) .
As6 As5 2.096(3) .
As7 O22 1.612(8) .
As7 As8 1.788(3) .
As7 O26 1.908(10) .
As7 O11 2.006(7) .
As1' O26 1.236(14) .
As1' O15 1.924(14) .
As1' O21 1.954(13) .
As2' O24 1.293(14) .
As2' V9 1.382(12) 2_665
As2' O12 1.856(12) .
As2' O21 2.008(13) .
As3' O8 1.220(13) .
As3' As4 1.364(14) .
As3' O7 1.892(14) .
As3' O10 1.982(16) .
As6' O23 1.158(15) .
As6' O16 1.915(12) .
As6' O13 1.975(14) .
As6' As4 2.544(15) .
As6' As5 2.672(14) .
As7' O22 1.093(10) .
As7' As8 1.138(9) .
As7' O11 1.963(11) .
As7' O5 2.048(10) .
As7' V8 2.355(9) 2_665
As4 O8 1.778(6) .
As4 O23 1.803(8) .
As4 O10 1.934(7) .
As5 O16 1.663(7) .
As5 O27 1.757(10) 2_665
As5 O6 1.835(6) .
As8 O22 1.684(6) .
As8 V8 1.844(4) 2_665
As8 O5 1.847(6) .
As8 O27 1.938(10) .
O5 V8 1.997(6) 2_665
O6 V2 1.955(5) 2_665
O8 V3 1.967(6) 2_665
O12 V2 1.958(6) 2_665
O12 V9 2.001(6) 2_665
O14 V4 1.598(6) 2_676
O16 V3 2.004(7) 2_665
O21 V9 2.124(7) 2_665
O22 V8 2.173(9) 2_665
O24 V9 1.377(9) 2_665
O24 As3 1.795(9) 2_665
O27 V8 1.337(10) 2_665
O27 As5 1.757(10) 2_665
N1 C4 1.323(11) .
N1 C1 1.350(11) .
N2 C6 1.325(11) .
N2 C5 1.326(11) .
N3 C17 1.312(12) .
N3 C13 1.347(11) .
N3 Cu2 1.910(7) 2_667
N4 C9 1.338(13) .
N4 C8 1.358(12) .
C1 C2 1.374(12) .
C1 H1 0.9300 .
C2 C3 1.396(12) .
C2 H2 0.9300 .
C3 C10 1.384(13) .
C3 C24 1.505(13) .
C4 C10 1.364(13) .
C4 H4 0.9300 .
C5 C21 1.367(14) .
C5 H5 0.9300 .
C6 C7 1.365(13) .
C6 H6 0.9300 .
C7 C22 1.372(14) .
C7 H7 0.9300 .
C8 C11 1.371(13) .
C8 H8 0.9300 .
C9 C20 1.381(14) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.369(13) .
C11 H11 0.9300 .
C12 C20 1.361(15) .
C12 C18 1.517(13) .
C13 C14 1.351(14) .
C13 H13 0.9300 .
C14 C15 1.382(16) .
C14 H14 0.9300 .
C15 C16 1.355(15) .
C15 C26 1.548(16) .
C16 C17 1.378(14) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.508(14) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C23 1.491(16) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20 0.9300 .
C21 C22 1.379(15) .
C21 H21 0.9300 .
C22 C23 1.521(14) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.575(15) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.481(18) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
