#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:23:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179893 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/89/7018979.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_7018979
loop_
_publ_author_name
'Gao, Yuanzhe'
'Xu, Yanqing'
'Huang, Kunlin'
'Han, Zhangang'
'Hu, Changwen'
_publ_section_title
;
 Two three-dimensional {V16Ge4}-based open frameworks stabilized by
 diverse types of CoII-amine bridges and magnetic properties
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              6122
_journal_paper_doi               10.1039/c2dt30199g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H198 Co10 Ge8 N36 O119 V32'
_chemical_formula_sum            'C36 H198 Co10 Ge8 N36 O119 V32'
_chemical_formula_weight         5840.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           110
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -2c'
_symmetry_space_group_name_H-M   'I 41 c d'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.5983(18)
_cell_length_b                   30.5983(18)
_cell_length_c                   35.422(3)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      2.28
_cell_volume                     33164(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.1186
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            80324
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    4.213
_exptl_absorpt_correction_T_max  0.481
_exptl_absorpt_correction_T_min  0.330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             23040
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         3.008
_refine_diff_density_min         -3.578
_refine_diff_density_rms         0.286
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         12388
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1249P)²+158.7229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.1790
_reflns_number_gt                10699
_reflns_number_total             12388
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30199g.txt
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      I4(1)cd
_cod_database_code               7018979
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-y, x+1/2, z+1/4'
'y+1/2, -x, z+3/4'
'x, -y, z+1/2'
'-x+1/2, y+1/2, z'
'-y, -x+1/2, z+3/4'
'y+1/2, x, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1, z+1'
'-y+1/2, x+1, z+3/4'
'y+1, -x+1/2, z+5/4'
'x+1/2, -y+1/2, z+1'
'-x+1, y+1, z+1/2'
'-y+1/2, -x+1, z+5/4'
'y+1, x+1/2, z+3/4'
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
Co1 Co 0.07392(6) 0.08847(6) 0.11811(6) 0.0304(4) Uani 1 1 d .
Co2 Co 0.10673(5) 0.06287(5) 0.20334(5) 0.0243(4) Uani 1 1 d .
Co3 Co 0.11049(6) 0.09850(6) -0.08719(6) 0.0320(4) Uani 1 1 d .
Co4 Co 0.13445(6) -0.12087(6) -0.08627(6) 0.0342(5) Uani 1 1 d .
Co5 Co 0.20489(7) 0.23311(6) 0.00498(7) 0.0409(5) Uani 1 1 d .
Ge1 Ge 0.16182(4) 0.01773(4) 0.13044(4) 0.0217(3) Uani 1 1 d .
Ge2 Ge 0.20417(4) -0.07095(4) 0.13233(4) 0.0239(3) Uani 1 1 d .
Ge3 Ge 0.36185(4) 0.01941(4) -0.05792(4) 0.0206(3) Uani 1 1 d .
Ge4 Ge 0.33142(4) -0.07377(4) -0.05178(5) 0.0269(3) Uani 1 1 d .
V1 V 0.15128(6) -0.04609(6) 0.04898(7) 0.0211(4) Uani 1 1 d .
V2 V 0.14547(6) 0.05307(6) 0.04612(7) 0.0203(4) Uani 1 1 d .
V3 V 0.20718(7) 0.12195(6) 0.03047(6) 0.0197(4) Uani 1 1 d .
V4 V 0.30418(7) 0.12577(6) 0.02870(6) 0.0205(4) Uani 1 1 d .
V5 V 0.37274(6) 0.06556(6) 0.02235(6) 0.0193(4) Uani 1 1 d .
V6 V 0.37992(6) -0.03264(7) 0.03004(7) 0.0236(5) Uani 1 1 d .
V7 V 0.31521(7) -0.10874(6) 0.03572(7) 0.0272(5) Uani 1 1 d .
V8 V 0.22409(7) -0.11531(6) 0.04852(7) 0.0250(5) Uani 1 1 d .
V9 V 0.17369(6) 0.02903(6) -0.03130(6) 0.0186(4) Uani 1 1 d .
V10 V 0.25101(6) -0.00178(7) -0.07379(7) 0.0198(4) Uani 1 1 d .
V11 V 0.27981(6) 0.08711(6) -0.04604(6) 0.0174(4) Uani 1 1 d .
V12 V 0.22310(6) -0.08216(6) -0.02956(7) 0.0213(4) Uani 1 1 d .
V13 V 0.23366(7) 0.09711(6) 0.10911(6) 0.0223(4) Uani 1 1 d .
V14 V 0.27308(7) 0.01544(7) 0.14612(7) 0.0247(5) Uani 1 1 d .
V15 V 0.31113(7) -0.06655(7) 0.11013(7) 0.0253(5) Uani 1 1 d .
V16 V 0.34569(7) 0.04970(7) 0.10235(6) 0.0220(5) Uani 1 1 d .
N1 N 0.1132(4) 0.1446(4) 0.1109(4) 0.038(3) Uani 1 1 d .
H1A H 0.1167 0.1579 0.1334 0.045 Uiso 1 1 calc R
H1B H 0.1398 0.1364 0.1026 0.045 Uiso 1 1 calc R
N2 N 0.0282(5) 0.1301(5) 0.0892(5) 0.055(4) Uani 1 1 d .
H2A H 0.0254 0.1213 0.0651 0.066 Uiso 1 1 calc R
H2B H 0.0018 0.1282 0.1003 0.066 Uiso 1 1 calc R
N3 N 0.0367(5) 0.0324(4) 0.1078(4) 0.046(3) Uani 1 1 d .
H3A H 0.0555 0.0099 0.1103 0.056 Uiso 1 1 calc R
H3B H 0.0182 0.0304 0.1275 0.056 Uiso 1 1 calc R
N4 N 0.1573(4) 0.1108(4) 0.2050(4) 0.035(3) Uani 1 1 d .
H4A H 0.1620 0.1207 0.1814 0.042 Uiso 1 1 calc R
H4B H 0.1482 0.1335 0.2191 0.042 Uiso 1 1 calc R
N5 N 0.1588(4) 0.0255(4) 0.2311(4) 0.040(3) Uani 1 1 d .
H5A H 0.1477 0.0087 0.2497 0.048 Uiso 1 1 calc R
H5B H 0.1725 0.0081 0.2144 0.048 Uiso 1 1 calc R
N6 N 0.0615(4) 0.0098(4) 0.2122(4) 0.034(3) Uani 1 1 d .
H6A H 0.0654 -0.0097 0.1935 0.041 Uiso 1 1 calc R
H6B H 0.0689 -0.0036 0.2339 0.041 Uiso 1 1 calc R
N7 N 0.1048(6) 0.1304(6) -0.0355(6) 0.075(5) Uani 1 1 d .
H7A H 0.1191 0.1152 -0.0176 0.089 Uiso 1 1 calc R
H7B H 0.1170 0.1571 -0.0371 0.089 Uiso 1 1 calc R
N8 N 0.0434(6) 0.0863(7) -0.0784(6) 0.084(6) Uani 1 1 d .
H8A H 0.0271 0.1044 -0.0927 0.100 Uiso 1 1 calc R
H8B H 0.0369 0.0586 -0.0848 0.100 Uiso 1 1 calc R
N9 N 0.1775(6) 0.1137(6) -0.0999(6) 0.071(5) Uani 1 1 d .
H9A H 0.1820 0.1427 -0.0980 0.086 Uiso 1 1 calc R
H9B H 0.1953 0.1000 -0.0836 0.086 Uiso 1 1 calc R
N10 N 0.1131(7) 0.0702(7) -0.1414(6) 0.080(6) Uani 1 1 d .
H10A H 0.0976 0.0452 -0.1417 0.096 Uiso 1 1 calc R
H10B H 0.1014 0.0886 -0.1585 0.096 Uiso 1 1 calc R
N11 N 0.1047(4) -0.0980(5) -0.0377(4) 0.045(3) Uani 1 1 d .
H11A H 0.1247 -0.0859 -0.0222 0.054 Uiso 1 1 calc R
H11B H 0.0847 -0.0775 -0.0435 0.054 Uiso 1 1 calc R
N12 N 0.1239(5) -0.1813(4) -0.0606(4) 0.045(3) Uani 1 1 d .
H12A H 0.1015 -0.1951 -0.0719 0.054 Uiso 1 1 calc R
H12B H 0.1479 -0.1981 -0.0630 0.054 Uiso 1 1 calc R
N13 N 0.1474(5) -0.0623(4) -0.1127(4) 0.047(3) Uani 1 1 d .
H13A H 0.1229 -0.0459 -0.1134 0.056 Uiso 1 1 calc R
H13B H 0.1678 -0.0475 -0.0997 0.056 Uiso 1 1 calc R
N14 N 0.1674(4) -0.1465(5) -0.1324(4) 0.045(3) Uani 1 1 d .
H14A H 0.1857 -0.1679 -0.1249 0.053 Uiso 1 1 calc R
H14B H 0.1483 -0.1578 -0.1490 0.053 Uiso 1 1 calc R
N15 N 0.2234(5) 0.2946(4) -0.0227(5) 0.057(4) Uani 1 1 d .
H15A H 0.1995 0.3106 -0.0278 0.068 Uiso 1 1 calc R
H15B H 0.2410 0.3103 -0.0075 0.068 Uiso 1 1 calc R
N16 N 0.2450(5) 0.2088(4) -0.0382(4) 0.043(3) Uani 1 1 d .
H16A H 0.2622 0.1874 -0.0289 0.051 Uiso 1 1 calc R
H16B H 0.2283 0.1973 -0.0566 0.051 Uiso 1 1 calc R
N17 N 0.1707(7) 0.2543(6) 0.0530(5) 0.072(5) Uani 1 1 d .
H17A H 0.1559 0.2789 0.0473 0.086 Uiso 1 1 calc R
H17B H 0.1510 0.2338 0.0595 0.086 Uiso 1 1 calc R
N18 N 0.2573(5) 0.2389(5) 0.0445(4) 0.054(4) Uani 1 1 d .
H18A H 0.2766 0.2172 0.0406 0.065 Uiso 1 1 calc R
H18B H 0.2712 0.2645 0.0407 0.065 Uiso 1 1 calc R
O1 O 0.1538(3) 0.0052(3) 0.0830(3) 0.028(2) Uani 1 1 d .
O2 O 0.1495(3) 0.0018(3) 0.0138(3) 0.0238(18) Uani 1 1 d .
O3 O 0.1891(3) -0.0806(3) 0.0855(3) 0.027(2) Uani 1 1 d .
O4 O 0.1874(3) -0.0797(3) 0.0153(3) 0.024(2) Uani 1 1 d .
O5 O 0.1038(3) -0.0677(3) 0.0524(3) 0.035(2) Uani 1 1 d .
O6 O 0.1846(3) 0.0900(3) 0.0745(3) 0.0229(19) Uani 1 1 d .
O7 O 0.1743(3) 0.0786(3) 0.0034(3) 0.0229(19) Uani 1 1 d .
O8 O 0.0960(3) 0.0722(3) 0.0519(3) 0.038(2) Uani 1 1 d .
O9 O 0.2570(3) 0.1261(3) 0.0647(3) 0.0233(18) Uani 1 1 d .
O10 O 0.2535(3) 0.1189(3) -0.0049(3) 0.0225(19) Uani 1 1 d .
O11 O 0.1850(3) 0.1692(3) 0.0250(3) 0.035(2) Uani 1 1 d .
O12 O 0.3419(3) 0.0937(3) 0.0629(3) 0.0217(18) Uani 1 1 d .
O13 O 0.3292(3) 0.0884(3) -0.0105(3) 0.0236(19) Uani 1 1 d .
O14 O 0.3228(3) 0.1750(3) 0.0249(3) 0.033(2) Uani 1 1 d .
O15 O 0.3756(3) 0.0202(3) 0.0604(3) 0.0256(19) Uani 1 1 d .
O16 O 0.3714(3) 0.0123(3) -0.0090(3) 0.026(2) Uani 1 1 d .
O17 O 0.4194(3) 0.0896(3) 0.0132(3) 0.0245(19) Uani 1 1 d .
O18 O 0.3464(3) -0.0667(3) 0.0658(3) 0.028(2) Uani 1 1 d .
O19 O 0.3467(3) -0.0744(3) -0.0044(3) 0.033(2) Uani 1 1 d .
O20 O 0.4297(3) -0.0485(3) 0.0309(3) 0.036(2) Uani 1 1 d .
O21 O 0.2754(3) -0.1047(3) 0.0783(3) 0.027(2) Uani 1 1 d .
O22 O 0.2623(3) -0.1110(3) 0.0053(3) 0.028(2) Uani 1 1 d .
O23 O 0.3397(3) -0.1558(3) 0.0357(3) 0.041(3) Uani 1 1 d .
O24 O 0.2077(3) -0.1653(3) 0.0514(3) 0.041(3) Uani 1 1 d .
O25 O 0.2031(3) -0.0262(3) -0.0453(3) 0.0249(19) Uani 1 1 d .
O26 O 0.2277(3) 0.0514(3) -0.0533(3) 0.0219(18) Uani 1 1 d .
O27 O 0.1341(3) 0.0378(3) -0.0609(3) 0.037(2) Uani 1 1 d .
O28 O 0.2764(3) -0.0577(3) -0.0559(3) 0.028(2) Uani 1 1 d .
O29 O 0.3064(3) 0.0311(3) -0.0647(3) 0.025(2) Uani 1 1 d .
O30 O 0.2416(3) -0.0058(3) -0.1181(3) 0.036(2) Uani 1 1 d .
O31 O 0.2847(3) 0.1221(3) -0.0793(3) 0.027(2) Uani 1 1 d .
O32 O 0.2003(3) -0.1183(3) -0.0569(3) 0.031(2) Uani 1 1 d .
O33 O 0.2142(3) 0.0405(3) 0.1350(3) 0.027(2) Uani 1 1 d .
O34 O 0.2884(3) 0.0683(3) 0.1199(3) 0.026(2) Uani 1 1 d .
O35 O 0.2242(4) 0.1353(3) 0.1393(3) 0.039(2) Uani 1 1 d .
O36 O 0.2550(3) -0.0462(3) 0.1350(3) 0.0251(19) Uani 1 1 d .
O37 O 0.3242(3) -0.0067(3) 0.1203(3) 0.028(2) Uani 1 1 d .
O38 O 0.2819(3) 0.0208(3) 0.1909(3) 0.040(2) Uani 1 1 d .
O39 O 0.3378(3) -0.0955(3) 0.1403(3) 0.040(3) Uani 1 1 d .
O40 O 0.3763(4) 0.0744(4) 0.1354(4) 0.057(3) Uani 1 1 d .
O41 O 0.1660(3) -0.0347(3) 0.1532(3) 0.027(2) Uani 1 1 d .
O42 O 0.1201(3) 0.0479(3) 0.1481(3) 0.028(2) Uani 1 1 d .
O43 O 0.2046(3) -0.1192(3) 0.1596(3) 0.042(3) Uani 1 1 d .
O44 O 0.3644(3) -0.0352(3) -0.0757(3) 0.030(2) Uani 1 1 d .
O45 O 0.3983(3) 0.0554(3) -0.0763(3) 0.028(2) Uani 1 1 d .
O46 O 0.3398(3) -0.1245(3) -0.0727(4) 0.047(3) Uani 1 1 d .
O47 O 0.3858(5) 0.3858(5) 0.1323(5) 0.075(4) Uani 1 1 d .
H47C H 0.3779 0.3779 0.1129 0.00(3) Uiso 1 1 d R
H47D H 0.3705 0.3705 0.1333 0.00(3) Uiso 1 1 d R
O48 O 0.1466(5) 0.2317(5) -0.0308(5) 0.074(4) Uani 1 1 d .
H48C H 0.1240 0.2339 -0.0171 0.089 Uiso 1 1 d R
H48D H 0.1435 0.2486 -0.0497 0.089 Uiso 1 1 d R
O49 O 0.2861(17) 0.9411(13) 0.8225(10) 0.30(3) Uani 1 1 d .
H49C H 0.3027 0.9215 0.8318 0.364 Uiso 1 1 d R
H49D H 0.2741 0.9549 0.8406 0.364 Uiso 1 1 d R
O50 O 0.3303(17) 0.8723(13) 0.8483(10) 0.30(3) Uani 1 1 d .
H50C H 0.3286 0.8474 0.8379 0.364 Uiso 1 1 d R
H50D H 0.3300 0.8688 0.8721 0.364 Uiso 1 1 d R
O51 O 0.2632(4) 0.0036(4) 0.0370(4) 0.059(3) Uani 1 1 d .
H51A H 0.2811 -0.0172 0.0336 0.071 Uiso 1 1 d R
H51B H 0.2702 0.0162 0.0576 0.071 Uiso 1 1 d R
O52 O 0.4423(5) 0.9341(6) 0.8934(6) 0.094(6) Uani 1 1 d .
H52C H 0.4465 0.9069 0.8970 0.113 Uiso 1 1 d R
H52D H 0.4181 0.9411 0.9035 0.113 Uiso 1 1 d R
O53 O 0.0534(14) 0.9846(14) 0.9720(14) 0.26(2) Uani 1 1 d .
H53C H 0.0724 0.9818 0.9894 0.308 Uiso 1 1 d R
H53D H 0.0653 0.9989 0.9542 0.308 Uiso 1 1 d R
O54 O 0.0523(13) 0.9747(13) 0.8770(13) 0.228(17) Uani 1 1 d .
H54C H 0.0570 0.9473 0.8773 0.274 Uiso 1 1 d R
H54D H 0.0349 0.9804 0.8589 0.274 Uiso 1 1 d R
O55 O 0.4213(13) 0.8407(14) 0.9912(12) 0.226(18) Uani 1 1 d .
H55C H 0.3984 0.8458 1.0040 0.271 Uiso 1 1 d R
H55D H 0.4274 0.8137 0.9933 0.271 Uiso 1 1 d R
O56 O 0.0745(9) 0.2581(11) 0.0036(9) 0.172(12) Uani 1 1 d .
H56C H 0.0560 0.2380 -0.0008 0.00(3) Uiso 1 1 d R
H56D H 0.0668 0.2709 0.0238 0.00(3) Uiso 1 1 d R
O57 O 1.0000 1.0000 0.825(4) 0.50(8) Uani 1 2 d S
H57 H 0.9872 0.9814 0.8113 0.596 Uiso 1 1 d R
O58 O 0.112(3) 0.993(4) 0.311(3) 0.63(8) Uani 1 1 d .
H58C H 0.1087 1.0165 0.2983 0.751 Uiso 1 1 d R
H58D H 0.0955 0.9736 0.3019 0.751 Uiso 1 1 d R
O59 O 0.0042(11) 0.2127(9) 0.0159(12) 0.198(14) Uani 1 1 d .
H59C H -0.0064 0.2163 -0.0060 0.00(3) Uiso 1 1 d R
H59D H -0.0164 0.2151 0.0320 0.00(3) Uiso 1 1 d R
O60 O 0.0263(15) 0.2765(15) 0.0624(15) 0.27(2) Uani 1 1 d .
H60C H 0.0192 0.2554 0.0480 0.321 Uiso 1 1 d R
H60D H 0.0171 0.2709 0.0845 0.321 Uiso 1 1 d R
C1 C 0.0953(6) 0.1738(5) 0.0857(6) 0.049(4) Uani 1 1 d .
H1C H 0.1032 0.1655 0.0601 0.059 Uiso 1 1 calc R
H1D H 0.1069 0.2028 0.0904 0.059 Uiso 1 1 calc R
C2 C 0.0428(7) 0.1744(6) 0.0899(7) 0.065(5) Uani 1 1 d .
H2C H 0.0346 0.1881 0.1135 0.078 Uiso 1 1 calc R
H2D H 0.0298 0.1907 0.0694 0.078 Uiso 1 1 calc R
C3 C 0.0126(8) 0.0227(8) 0.0773(6) 0.075(7) Uani 1 1 d .
H3C H 0.0317 0.0233 0.0554 0.090 Uiso 1 1 calc R
H3D H -0.0088 0.0458 0.0740 0.090 Uiso 1 1 calc R
C4 C 0.1985(5) 0.0944(5) 0.2204(5) 0.045(4) Uani 1 1 d .
H4C H 0.2138 0.1178 0.2332 0.053 Uiso 1 1 calc R
H4D H 0.2170 0.0839 0.2000 0.053 Uiso 1 1 calc R
C5 C 0.1896(6) 0.0587(6) 0.2469(5) 0.047(4) Uani 1 1 d .
H5C H 0.1773 0.0708 0.2698 0.057 Uiso 1 1 calc R
H5D H 0.2169 0.0445 0.2534 0.057 Uiso 1 1 calc R
C6 C 0.0153(4) 0.0200(4) 0.2140(5) 0.030(3) Uani 1 1 d .
H6C H 0.0079 0.0384 0.1926 0.036 Uiso 1 1 calc R
H6D H 0.0099 0.0369 0.2367 0.036 Uiso 1 1 calc R
C7 C 0.0586(10) 0.1346(11) -0.0249(9) 0.102(9) Uani 1 1 d .
H7C H 0.0461 0.1603 -0.0367 0.122 Uiso 1 1 calc R
H7D H 0.0560 0.1377 0.0022 0.122 Uiso 1 1 calc R
C8 C 0.0343(9) 0.0938(9) -0.0381(9) 0.090(8) Uani 1 1 d .
H8C H 0.0438 0.0687 -0.0235 0.108 Uiso 1 1 calc R
H8D H 0.0032 0.0975 -0.0342 0.108 Uiso 1 1 calc R
C9 C 0.1867(7) 0.0992(8) -0.1383(7) 0.072(6) Uani 1 1 d .
H9C H 0.2172 0.0907 -0.1399 0.087 Uiso 1 1 calc R
H9D H 0.1822 0.1235 -0.1555 0.087 Uiso 1 1 calc R
C10 C 0.1587(9) 0.0612(9) -0.1509(8) 0.088(8) Uani 1 1 d .
H10C H 0.1616 0.0571 -0.1779 0.106 Uiso 1 1 calc R
H10D H 0.1682 0.0347 -0.1384 0.106 Uiso 1 1 calc R
C11 C 0.0828(6) -0.1369(7) -0.0183(6) 0.058(5) Uani 1 1 d .
H11C H 0.0761 -0.1298 0.0077 0.070 Uiso 1 1 calc R
H11D H 0.0557 -0.1442 -0.0311 0.070 Uiso 1 1 calc R
C12 C 0.1140(6) -0.1748(6) -0.0201(6) 0.054(5) Uani 1 1 d .
H12C H 0.1405 -0.1683 -0.0061 0.064 Uiso 1 1 calc R
H12D H 0.1008 -0.2008 -0.0095 0.064 Uiso 1 1 calc R
C13 C 0.1621(6) -0.0700(6) -0.1494(5) 0.051(5) Uani 1 1 d .
H13C H 0.1773 -0.0443 -0.1587 0.062 Uiso 1 1 calc R
H13D H 0.1373 -0.0754 -0.1658 0.062 Uiso 1 1 calc R
C14 C 0.1931(5) -0.1095(6) -0.1505(5) 0.047(4) Uani 1 1 d .
H14C H 0.2009 -0.1167 -0.1763 0.056 Uiso 1 1 calc R
H14D H 0.2196 -0.1035 -0.1364 0.056 Uiso 1 1 calc R
C15 C 0.2460(7) 0.2838(5) -0.0574(6) 0.056(5) Uani 1 1 d .
H15C H 0.2652 0.3077 -0.0642 0.068 Uiso 1 1 calc R
H15D H 0.2248 0.2802 -0.0775 0.068 Uiso 1 1 calc R
C16 C 0.2722(6) 0.2432(6) -0.0539(6) 0.058(5) Uani 1 1 d .
H16C H 0.2829 0.2345 -0.0785 0.069 Uiso 1 1 calc R
H16D H 0.2971 0.2483 -0.0376 0.069 Uiso 1 1 calc R
C17 C 0.1995(8) 0.2631(7) 0.0855(7) 0.074(6) Uani 1 1 d .
H17C H 0.1843 0.2556 0.1087 0.088 Uiso 1 1 calc R
H17D H 0.2064 0.2940 0.0863 0.088 Uiso 1 1 calc R
C18 C 0.2414(8) 0.2370(7) 0.0830(6) 0.068(6) Uani 1 1 d .
H18C H 0.2630 0.2491 0.1001 0.082 Uiso 1 1 calc R
H18D H 0.2360 0.2069 0.0902 0.082 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'
O O 0.0106 0.0060 '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'
Na Na 0.0362 0.0249 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O45 Co1 N3 100.2(5) 12_454 .
O45 Co1 N1 96.3(5) 12_454 .
N3 Co1 N1 163.0(6) . .
O45 Co1 N2 99.0(5) 12_454 .
N3 Co1 N2 92.8(6) . .
N1 Co1 N2 80.3(6) . .
O45 Co1 O42 80.0(3) 12_454 .
N3 Co1 O42 88.2(5) . .
N1 Co1 O42 98.9(4) . .
N2 Co1 O42 178.7(5) . .
O42 Co2 N4 92.0(4) . .
O42 Co2 N6 95.6(4) . .
N4 Co2 N6 168.4(5) . .
O42 Co2 N5 99.6(5) . .
N4 Co2 N5 79.6(5) . .
N6 Co2 N5 90.5(5) . .
O42 Co2 O45 79.1(4) . 12_454
N4 Co2 O45 99.0(4) . 12_454
N6 Co2 O45 91.0(4) . 12_454
N5 Co2 O45 178.1(5) . 12_454
O42 Co2 O17 177.7(3) . 12_454
N4 Co2 O17 88.7(4) . 12_454
N6 Co2 O17 84.0(4) . 12_454
N5 Co2 O17 82.6(4) . 12_454
O45 Co2 O17 98.7(3) 12_454 12_454
N7 Co3 N10 175.4(7) . .
N7 Co3 N8 82.7(9) . .
N10 Co3 N8 95.6(9) . .
N7 Co3 N9 99.4(8) . .
N10 Co3 N9 82.0(8) . .
N8 Co3 N9 175.6(7) . .
N7 Co3 O39 83.3(6) . 7_554
N10 Co3 O39 92.5(6) . 7_554
N8 Co3 O39 90.4(6) . 7_554
N9 Co3 O39 86.0(6) . 7_554
N7 Co3 O27 92.9(6) . .
N10 Co3 O27 91.5(6) . .
N8 Co3 O27 96.2(6) . .
N9 Co3 O27 87.6(5) . .
O39 Co3 O27 171.9(4) 7_554 .
N13 Co4 N11 99.7(6) . .
N13 Co4 N14 82.9(6) . .
N11 Co4 N14 175.7(6) . .
N13 Co4 N12 177.4(6) . .
N11 Co4 N12 82.5(6) . .
N14 Co4 N12 94.8(6) . .
N13 Co4 O40 89.2(5) . 16_444
N11 Co4 O40 91.6(5) . 16_444
N14 Co4 O40 91.9(5) . 16_444
N12 Co4 O40 92.1(5) . 16_444
N13 Co4 O32 90.5(5) . .
N11 Co4 O32 89.8(4) . .
N14 Co4 O32 86.7(5) . .
N12 Co4 O32 88.1(4) . .
O40 Co4 O32 178.6(5) 16_444 .
N16 Co5 N17 172.7(7) . .
N16 Co5 N18 93.9(6) . .
N17 Co5 N18 79.5(7) . .
N16 Co5 O11 94.7(4) . .
N17 Co5 O11 82.8(5) . .
N18 Co5 O11 94.1(5) . .
N16 Co5 O48 92.7(6) . .
N17 Co5 O48 94.0(8) . .
N18 Co5 O48 173.3(6) . .
O11 Co5 O48 86.8(5) . .
N16 Co5 N15 80.0(5) . .
N17 Co5 N15 103.1(6) . .
N18 Co5 N15 91.5(6) . .
O11 Co5 N15 172.5(6) . .
O48 Co5 N15 88.2(6) . .
O42 Ge1 O1 111.7(4) . .
O42 Ge1 O33 116.0(4) . .
O1 Ge1 O33 107.7(4) . .
O42 Ge1 O41 111.9(4) . .
O1 Ge1 O41 104.3(4) . .
O33 Ge1 O41 104.4(4) . .
O36 Ge2 O3 111.3(4) . .
O36 Ge2 O43 109.2(4) . .
O3 Ge2 O43 112.3(5) . .
O36 Ge2 O41 107.2(4) . .
O3 Ge2 O41 109.1(4) . .
O43 Ge2 O41 107.5(5) . .
O45 Ge3 O29 116.8(4) . .
O45 Ge3 O16 110.4(4) . .
O29 Ge3 O16 108.6(4) . .
O45 Ge3 O44 116.3(4) . .
O29 Ge3 O44 100.6(4) . .
O16 Ge3 O44 102.8(4) . .
O46 Ge4 O19 111.2(5) . .
O46 Ge4 O28 110.8(5) . .
O19 Ge4 O28 109.9(5) . .
O46 Ge4 O44 108.0(5) . .
O19 Ge4 O44 108.4(4) . .
O28 Ge4 O44 108.6(4) . .
O5 V1 O4 110.3(5) . .
O5 V1 O2 109.7(5) . .
O4 V1 O2 91.3(4) . .
O5 V1 O1 108.5(5) . .
O4 V1 O1 141.1(4) . .
O2 V1 O1 77.9(4) . .
O5 V1 O3 104.7(5) . .
O4 V1 O3 77.9(4) . .
O2 V1 O3 145.5(4) . .
O1 V1 O3 90.1(4) . .
O5 V1 V2 111.2(4) . .
O4 V1 V2 123.1(3) . .
O2 V1 V2 38.4(3) . .
O1 V1 V2 39.8(3) . .
O3 V1 V2 124.9(3) . .
O5 V1 V8 112.0(4) . .
O4 V1 V8 38.0(3) . .
O2 V1 V8 122.8(3) . .
O1 V1 V8 121.4(3) . .
O3 V1 V8 39.9(3) . .
V2 V1 V8 136.86(9) . .
O8 V2 O7 112.3(5) . .
O8 V2 O6 107.4(5) . .
O7 V2 O6 83.5(4) . .
O8 V2 O2 114.9(5) . .
O7 V2 O2 80.5(4) . .
O6 V2 O2 137.7(4) . .
O8 V2 O1 107.6(5) . .
O7 V2 O1 139.7(4) . .
O6 V2 O1 90.5(4) . .
O2 V2 O1 77.4(4) . .
O8 V2 V3 111.6(4) . .
O7 V2 V3 41.4(3) . .
O6 V2 V3 42.7(3) . .
O2 V2 V3 115.8(3) . .
O1 V2 V3 125.7(3) . .
O8 V2 V9 118.3(4) . .
O7 V2 V9 40.3(3) . .
O6 V2 V9 116.5(3) . .
O2 V2 V9 40.4(3) . .
O1 V2 V9 112.9(3) . .
V3 V2 V9 79.22(8) . .
O8 V2 V1 114.0(4) . .
O7 V2 V1 113.9(3) . .
O6 V2 V1 122.1(3) . .
O2 V2 V1 37.9(3) . .
O1 V2 V1 39.8(3) . .
V3 V2 V1 134.22(9) . .
V9 V2 V1 76.49(8) . .
O11 V3 O10 106.2(4) . .
O11 V3 O7 109.9(5) . .
O10 V3 O7 91.5(4) . .
O11 V3 O9 110.3(5) . .
O10 V3 O9 80.2(4) . .
O7 V3 O9 139.8(4) . .
O11 V3 O6 113.3(4) . .
O10 V3 O6 139.8(4) . .
O7 V3 O6 82.4(4) . .
O9 V3 O6 79.3(4) . .
O11 V3 V2 113.8(4) . .
O10 V3 V2 125.5(3) . .
O7 V3 V2 41.3(3) . .
O9 V3 V2 116.1(3) . .
O6 V3 V2 41.7(3) . .
O11 V3 V4 112.5(4) . .
O10 V3 V4 40.6(3) . .
O7 V3 V4 122.6(3) . .
O9 V3 V4 39.6(3) . .
O6 V3 V4 112.8(3) . .
V2 V3 V4 133.39(9) . .
O11 V3 V13 117.0(4) . .
O10 V3 V13 113.6(3) . .
O7 V3 V13 115.5(3) . .
O9 V3 V13 39.5(3) . .
O6 V3 V13 39.9(3) . .
V2 V3 V13 79.22(8) . .
V4 V3 V13 76.10(8) . .
O14 V4 O9 108.4(5) . .
O14 V4 O12 108.3(4) . .
O9 V4 O12 91.9(4) . .
O14 V4 O13 110.3(5) . .
O9 V4 O13 140.0(4) . .
O12 V4 O13 85.1(4) . .
O14 V4 O10 109.1(4) . .
O9 V4 O10 79.1(4) . .
O12 V4 O10 142.5(3) . .
O13 V4 O10 79.5(4) . .
O14 V4 V5 110.0(4) . .
O9 V4 V5 128.1(3) . .
O12 V4 V5 43.3(3) . .
O13 V4 V5 42.6(3) . .
O10 V4 V5 118.2(3) . .
O14 V4 V3 113.0(4) . .
O9 V4 V3 40.3(3) . .
O12 V4 V3 124.1(3) . .
O13 V4 V3 112.6(3) . .
O10 V4 V3 38.8(3) . .
V5 V4 V3 136.39(9) . .
O14 V4 V11 112.5(4) . .
O9 V4 V11 113.6(3) . .
O12 V4 V11 120.0(3) . .
O13 V4 V11 40.4(3) . .
O10 V4 V11 39.3(3) . .
V5 V4 V11 81.69(8) . .
V3 V4 V11 75.78(7) . .
O17 V5 O13 108.9(4) . .
O17 V5 O12 112.0(4) . .
O13 V5 O12 87.1(4) . .
O17 V5 O15 114.8(4) . .
O13 V5 O15 136.1(4) . .
O12 V5 O15 79.8(4) . .
O17 V5 O16 106.2(4) . .
O13 V5 O16 86.8(4) . .
O12 V5 O16 141.2(4) . .
O15 V5 O16 78.5(4) . .
O17 V5 V4 111.9(3) . .
O13 V5 V4 44.2(3) . .
O12 V5 V4 43.8(3) . .
O15 V5 V4 116.7(3) . .
O16 V5 V4 124.9(3) . .
O17 V5 V16 120.1(4) . .
O13 V5 V16 116.4(3) . .
O12 V5 V16 39.5(3) . .
O15 V5 V16 40.3(3) . .
O16 V5 V16 113.1(3) . .
V4 V5 V16 79.83(8) . .
O17 V5 V6 113.6(3) . .
O13 V5 V6 118.1(3) . .
O12 V5 V6 114.4(3) . .
O15 V5 V6 38.9(3) . .
O16 V5 V6 39.8(3) . .
V4 V5 V6 134.46(9) . .
V16 V5 V6 76.92(8) . .
O20 V6 O18 109.2(5) . .
O20 V6 O15 107.9(5) . .
O18 V6 O15 92.9(4) . .
O20 V6 O16 110.7(5) . .
O18 V6 O16 140.0(4) . .
O15 V6 O16 78.4(4) . .
O20 V6 O19 107.2(5) . .
O18 V6 O19 77.8(4) . .
O15 V6 O19 144.8(4) . .
O16 V6 O19 87.2(4) . .
O20 V6 V5 111.9(4) . .
O18 V6 V5 123.8(3) . .
O15 V6 V5 38.7(3) . .
O16 V6 V5 39.9(3) . .
O19 V6 V5 122.2(3) . .
O20 V6 V7 112.5(4) . .
O18 V6 V7 37.3(3) . .
O15 V6 V7 123.5(3) . .
O16 V6 V7 119.4(3) . .
O19 V6 V7 40.6(3) . .
V5 V6 V7 135.57(9) . .
O23 V7 O18 111.3(5) . .
O23 V7 O21 110.3(5) . .
O18 V7 O21 80.8(4) . .
O23 V7 O22 110.7(5) . .
O18 V7 O22 138.0(4) . .
O21 V7 O22 84.8(4) . .
O23 V7 O19 104.0(5) . .
O18 V7 O19 78.6(4) . .
O21 V7 O19 144.6(4) . .
O22 V7 O19 91.5(4) . .
O23 V7 V8 113.1(4) . .
O18 V7 V8 116.6(3) . .
O21 V7 V8 42.5(3) . .
O22 V7 V8 42.9(3) . .
O19 V7 V8 128.4(3) . .
O23 V7 V15 114.2(4) . .
O18 V7 V15 39.7(3) . .
O21 V7 V15 41.3(3) . .
O22 V7 V15 118.5(3) . .
O19 V7 V15 115.1(3) . .
V8 V7 V15 81.13(9) . .
O23 V7 V6 112.0(4) . .
O18 V7 V6 37.5(3) . .
O21 V7 V6 114.1(3) . .
O22 V7 V6 121.9(3) . .
O19 V7 V6 41.1(3) . .
V8 V7 V6 134.50(9) . .
V15 V7 V6 75.66(8) . .
O24 V8 O21 112.4(5) . .
O24 V8 O22 107.7(5) . .
O21 V8 O22 85.8(4) . .
O24 V8 O4 112.8(5) . .
O21 V8 O4 134.9(4) . .
O22 V8 O4 80.5(4) . .
O24 V8 O3 107.2(5) . .
O21 V8 O3 89.3(4) . .
O22 V8 O3 143.9(4) . .
O4 V8 O3 77.9(4) . .
O24 V8 V7 112.6(4) . .
O21 V8 V7 43.1(3) . .
O22 V8 V7 43.2(3) . .
O4 V8 V7 115.4(3) . .
O3 V8 V7 126.5(3) . .
O24 V8 V12 112.5(4) . .
O21 V8 V12 117.7(3) . .
O22 V8 V12 40.4(3) . .
O4 V8 V12 40.4(3) . .
O3 V8 V12 115.3(3) . .
V7 V8 V12 80.53(9) . .
O24 V8 V1 115.3(4) . .
O21 V8 V1 118.3(3) . .
O22 V8 V1 113.4(3) . .
O4 V8 V1 37.2(3) . .
O3 V8 V1 40.7(3) . .
V7 V8 V1 131.72(9) . .
V12 V8 V1 76.13(8) . .
O27 V9 O2 108.5(5) . .
O27 V9 O26 108.4(5) . .
O2 V9 O26 143.0(4) . .
O27 V9 O7 106.6(5) . .
O2 V9 O7 79.6(4) . .
O26 V9 O7 88.3(4) . .
O27 V9 O25 108.5(5) . .
O2 V9 O25 90.8(4) . .
O26 V9 O25 79.3(4) . .
O7 V9 O25 144.9(4) . .
O27 V9 V10 108.6(4) . .
O2 V9 V10 125.8(3) . .
O26 V9 V10 39.8(2) . .
O7 V9 V10 124.0(3) . .
O25 V9 V10 40.2(3) . .
O27 V9 V2 109.8(4) . .
O2 V9 V2 40.3(3) . .
O26 V9 V2 121.9(3) . .
O7 V9 V2 39.6(3) . .
O25 V9 V2 125.2(3) . .
V10 V9 V2 141.43(9) . .
O30 V10 O26 111.7(5) . .
O30 V10 O25 110.2(5) . .
O26 V10 O25 81.2(4) . .
O30 V10 O28 108.5(5) . .
O26 V10 O28 139.1(4) . .
O25 V10 O28 78.3(4) . .
O30 V10 O29 110.4(5) . .
O26 V10 O29 80.1(3) . .
O25 V10 O29 139.1(4) . .
O28 V10 O29 92.9(4) . .
O30 V10 V9 112.3(4) . .
O26 V10 V9 40.5(2) . .
O25 V10 V9 41.4(2) . .
O28 V10 V9 115.2(3) . .
O29 V10 V9 115.9(3) . .
O30 V10 V11 116.1(4) . .
O26 V10 V11 39.0(2) . .
O25 V10 V11 113.6(3) . .
O28 V10 V11 123.9(3) . .
O29 V10 V11 41.2(2) . .
V9 V10 V11 77.35(7) . .
O30 V10 V12 113.1(4) . .
O26 V10 V12 112.7(3) . .
O25 V10 V12 37.2(3) . .
O28 V10 V12 41.2(3) . .
O29 V10 V12 124.3(3) . .
V9 V10 V12 76.75(8) . .
V11 V10 V12 129.97(10) . .
O31 V11 O10 104.9(4) . .
O31 V11 O26 110.8(4) . .
O10 V11 O26 92.3(4) . .
O31 V11 O13 112.7(4) . .
O10 V11 O13 80.1(4) . .
O26 V11 O13 136.3(4) . .
O31 V11 O29 106.9(4) . .
O10 V11 O29 148.0(4) . .
O26 V11 O29 79.0(3) . .
O13 V11 O29 85.2(4) . .
O31 V11 V4 111.3(4) . .
O10 V11 V4 40.2(3) . .
O26 V11 V4 122.7(3) . .
O13 V11 V4 40.1(3) . .
O29 V11 V4 121.8(3) . .
O31 V11 V10 112.9(4) . .
O10 V11 V10 125.3(2) . .
O26 V11 V10 38.3(2) . .
O13 V11 V10 116.7(3) . .
O29 V11 V10 40.8(2) . .
V4 V11 V10 135.69(9) . .
O32 V12 O25 107.4(4) . .
O32 V12 O4 105.9(4) . .
O25 V12 O4 91.4(4) . .
O32 V12 O22 109.6(4) . .
O25 V12 O22 142.9(4) . .
O4 V12 O22 81.0(4) . .
O32 V12 O28 108.9(5) . .
O25 V12 O28 77.9(4) . .
O4 V12 O28 145.3(4) . .
O22 V12 O28 87.9(4) . .
O32 V12 V8 109.2(4) . .
O25 V12 V8 126.1(3) . .
O4 V12 V8 41.1(2) . .
O22 V12 V8 40.3(3) . .
O28 V12 V8 123.5(3) . .
O32 V12 V10 111.3(4) . .
O25 V12 V10 37.9(3) . .
O4 V12 V10 123.5(3) . .
O22 V12 V10 121.6(3) . .
O28 V12 V10 40.2(2) . .
V8 V12 V10 139.46(9) . .
O35 V13 O34 110.8(5) . .
O35 V13 O9 105.9(4) . .
O34 V13 O9 92.8(4) . .
O35 V13 O6 111.2(5) . .
O34 V13 O6 137.8(4) . .
O9 V13 O6 79.9(4) . .
O35 V13 O33 105.3(5) . .
O34 V13 O33 77.1(4) . .
O9 V13 O33 148.8(4) . .
O6 V13 O33 87.9(4) . .
O35 V13 V3 112.6(4) . .
O34 V13 V3 122.3(3) . .
O9 V13 V3 39.8(3) . .
O6 V13 V3 40.2(3) . .
O33 V13 V3 123.5(3) . .
O35 V13 V14 112.2(4) . .
O34 V13 V14 37.1(3) . .
O9 V13 V14 124.9(3) . .
O6 V13 V14 118.7(3) . .
O33 V13 V14 40.1(3) . .
V3 V13 V14 135.18(9) . .
O38 V14 O34 110.3(5) . .
O38 V14 O37 111.5(5) . .
O34 V14 O37 82.6(4) . .
O38 V14 O33 107.7(5) . .
O34 V14 O33 78.5(4) . .
O37 V14 O33 140.4(4) . .
O38 V14 O36 109.5(5) . .
O34 V14 O36 139.9(4) . .
O37 V14 O36 78.5(4) . .
O33 V14 O36 94.2(4) . .
O38 V14 V16 111.1(4) . .
O34 V14 V16 41.7(3) . .
O37 V14 V16 41.9(3) . .
O33 V14 V16 116.5(3) . .
O36 V14 V16 116.5(3) . .
O38 V14 V15 115.5(4) . .
O34 V14 V15 113.5(3) . .
O37 V14 V15 37.2(3) . .
O33 V14 V15 125.4(3) . .
O36 V14 V15 41.3(3) . .
V16 V14 V15 77.37(8) . .
O38 V14 V13 113.6(4) . .
O34 V14 V13 37.3(3) . .
O37 V14 V13 113.6(3) . .
O33 V14 V13 41.3(3) . .
O36 V14 V13 125.0(3) . .
V16 V14 V13 77.22(8) . .
V15 V14 V13 129.96(10) . .
O39 V15 O37 107.2(5) . .
O39 V15 O18 105.0(5) . .
O37 V15 O18 92.2(4) . .
O39 V15 O21 109.8(5) . .
O37 V15 O21 142.9(4) . .
O18 V15 O21 80.8(4) . .
O39 V15 O36 108.0(5) . .
O37 V15 O36 78.5(4) . .
O18 V15 O36 147.0(4) . .
O21 V15 O36 87.7(4) . .
O39 V15 V7 109.4(4) . .
O37 V15 V7 125.6(3) . .
O18 V15 V7 40.2(3) . .
O21 V15 V7 40.9(3) . .
O36 V15 V7 124.1(3) . .
O39 V15 V14 111.6(5) . .
O37 V15 V14 37.9(3) . .
O18 V15 V14 124.3(3) . .
O21 V15 V14 121.3(3) . .
O36 V15 V14 40.7(2) . .
V7 V15 V14 138.93(10) . .
O40 V16 O12 102.9(5) . .
O40 V16 O34 98.5(5) . .
O12 V16 O34 88.4(4) . .
O40 V16 O37 111.0(6) . .
O12 V16 O37 145.6(4) . .
O34 V16 O37 81.4(4) . .
O40 V16 O15 118.3(5) . .
O12 V16 O15 78.6(4) . .
O34 V16 O15 142.8(4) . .
O37 V16 O15 89.8(4) . .
O40 V16 V14 102.5(5) . .
O12 V16 V14 126.0(3) . .
O34 V16 V14 41.0(3) . .
O37 V16 V14 41.4(3) . .
O15 V16 V14 126.5(3) . .
O40 V16 V5 115.7(5) . .
O12 V16 V5 39.1(3) . .
O34 V16 V5 120.3(3) . .
O37 V16 V5 123.0(3) . .
O15 V16 V5 39.5(3) . .
V14 V16 V5 140.87(9) . .
C1 N1 Co1 112.3(11) . .
C2 N2 Co1 110.4(12) . .
C3 N3 Co1 128.4(13) . .
C4 N4 Co2 113.6(10) . .
C5 N5 Co2 105.7(9) . .
C6 N6 Co2 118.0(9) . .
C7 N7 Co3 110.2(17) . .
C8 N8 Co3 107.3(16) . .
C9 N9 Co3 108.3(14) . .
C10 N10 Co3 108.8(17) . .
C11 N11 Co4 107.6(11) . .
C12 N12 Co4 109.6(11) . .
C13 N13 Co4 109.8(11) . .
C14 N14 Co4 107.6(10) . .
C15 N15 Co5 107.9(10) . .
C16 N16 Co5 110.9(11) . .
C17 N17 Co5 113.0(14) . .
C18 N18 Co5 111.2(13) . .
Ge1 O1 V2 119.5(5) . .
Ge1 O1 V1 140.1(5) . .
V2 O1 V1 100.4(4) . .
V1 O2 V2 103.6(5) . .
V1 O2 V9 147.8(5) . .
V2 O2 V9 99.3(4) . .
Ge2 O3 V8 124.8(5) . .
Ge2 O3 V1 131.9(5) . .
V8 O3 V1 99.4(4) . .
V1 O4 V12 148.9(5) . .
V1 O4 V8 104.8(5) . .
V12 O4 V8 98.5(4) . .
V2 O6 V13 150.6(5) . .
V2 O6 V3 95.6(4) . .
V13 O6 V3 99.9(4) . .
V2 O7 V3 97.3(4) . .
V2 O7 V9 100.1(4) . .
V3 O7 V9 148.9(5) . .
V4 O9 V13 144.1(5) . .
V4 O9 V3 100.0(4) . .
V13 O9 V3 100.7(4) . .
V3 O10 V11 146.8(5) . .
V3 O10 V4 100.6(4) . .
V11 O10 V4 100.5(4) . .
V3 O11 Co5 137.1(6) . .
V5 O12 V4 92.9(4) . .
V5 O12 V16 101.4(4) . .
V4 O12 V16 146.7(5) . .
V5 O13 V4 93.2(4) . .
V5 O13 V11 157.3(5) . .
V4 O13 V11 99.5(4) . .
V5 O15 V6 102.4(5) . .
V5 O15 V16 100.2(4) . .
V6 O15 V16 146.1(5) . .
Ge3 O16 V6 142.8(5) . .
Ge3 O16 V5 116.9(5) . .
V6 O16 V5 100.3(4) . .
V5 O17 Co2 120.0(5) . 11_544
V15 O18 V7 100.1(4) . .
V15 O18 V6 147.0(5) . .
V7 O18 V6 105.2(5) . .
Ge4 O19 V7 123.8(5) . .
Ge4 O19 V6 134.7(5) . .
V7 O19 V6 98.3(5) . .
V8 O21 V7 94.4(4) . .
V8 O21 V15 151.0(5) . .
V7 O21 V15 97.8(4) . .
V8 O22 V12 99.3(4) . .
V8 O22 V7 93.9(4) . .
V12 O22 V7 148.6(5) . .
V12 O25 V10 104.9(4) . .
V12 O25 V9 147.3(6) . .
V10 O25 V9 98.4(4) . .
V10 O26 V9 99.7(4) . .
V10 O26 V11 102.7(4) . .
V9 O26 V11 146.8(5) . .
V9 O27 Co3 131.1(6) . .
Ge4 O28 V10 130.0(5) . .
Ge4 O28 V12 129.0(5) . .
V10 O28 V12 98.7(4) . .
Ge3 O29 V10 137.9(5) . .
Ge3 O29 V11 121.4(5) . .
V10 O29 V11 98.0(4) . .
V12 O32 Co4 132.7(5) . .
Ge1 O33 V14 133.6(5) . .
Ge1 O33 V13 124.0(5) . .
V14 O33 V13 98.7(4) . .
V14 O34 V13 105.6(4) . .
V14 O34 V16 97.3(4) . .
V13 O34 V16 148.4(5) . .
Ge2 O36 V14 132.1(5) . .
Ge2 O36 V15 127.1(5) . .
V14 O36 V15 98.0(4) . .
V15 O37 V14 104.9(4) . .
V15 O37 V16 149.0(6) . .
V14 O37 V16 96.7(4) . .
V15 O39 Co3 145.2(6) . 15_544
V16 O40 Co4 138.8(7) . 8
Ge2 O41 Ge1 114.7(5) . .
Ge1 O42 Co2 128.5(5) . .
Ge1 O42 Co1 128.7(5) . .
Co2 O42 Co1 102.1(4) . .
Ge4 O44 Ge3 115.5(5) . .
Ge3 O45 Co1 131.8(5) . 11_544
Ge3 O45 Co2 128.7(5) . 11_544
Co1 O45 Co2 98.5(4) 11_544 11_544
N1 C1 C2 110.0(14) . .
N2 C2 C1 107.5(14) . .
N3 C3 C3 117.3(15) . 10_444
N4 C4 C5 109.5(13) . .
C4 C5 N5 112.6(14) . .
N6 C6 C6 114.9(13) . 10_444
N7 C7 C8 109(2) . .
N8 C8 C7 109(2) . .
N9 C9 C10 114(2) . .
N10 C10 C9 109(2) . .
C12 C11 N11 107.6(15) . .
N12 C12 C11 105.9(16) . .
N13 C13 C14 110.8(15) . .
N14 C14 C13 104.9(14) . .
N15 C15 C16 112.3(17) . .
N16 C16 C15 109.3(15) . .
N17 C17 C18 111.4(18) . .
N18 C18 C17 108.5(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O45 2.089(10) 12_454
Co1 N3 2.091(13) .
Co1 N1 2.112(12) .
Co1 N2 2.153(15) .
Co1 O42 2.160(9) .
Co2 O42 2.052(10) .
Co2 N4 2.132(11) .
Co2 N6 2.157(12) .
Co2 N5 2.193(12) .
Co2 O45 2.233(9) 12_454
Co2 O17 2.251(10) 12_454
Co3 N7 2.08(2) .
Co3 N10 2.11(2) .
Co3 N8 2.11(2) .
Co3 N9 2.150(18) .
Co3 O39 2.154(10) 7_554
Co3 O27 2.200(10) .
Co4 N13 2.062(15) .
Co4 N11 2.069(14) .
Co4 N14 2.073(14) .
Co4 N12 2.086(14) .
Co4 O40 2.097(12) 16_444
Co4 O32 2.270(9) .
Co5 N16 2.097(13) .
Co5 N17 2.101(17) .
Co5 N18 2.134(16) .
Co5 O11 2.168(9) .
Co5 O48 2.188(15) .
Co5 N15 2.196(14) .
Ge1 O42 1.694(9) .
Ge1 O1 1.742(10) .
Ge1 O33 1.755(8) .
Ge1 O41 1.800(8) .
Ge2 O36 1.731(8) .
Ge2 O3 1.745(10) .
Ge2 O43 1.765(10) .
Ge2 O41 1.773(9) .
Ge3 O45 1.696(9) .
Ge3 O29 1.750(8) .
Ge3 O16 1.771(10) .
Ge3 O44 1.787(9) .
Ge4 O46 1.739(10) .
Ge4 O19 1.744(10) .
Ge4 O28 1.760(8) .
Ge4 O44 1.768(10) .
V1 O5 1.602(9) .
V1 O4 1.923(9) .
V1 O2 1.923(9) .
V1 O1 1.980(9) .
V1 O3 2.032(9) .
V1 V2 3.041(3) .
V1 V8 3.074(3) .
V2 O8 1.636(10) .
V2 O7 1.920(9) .
V2 O6 1.927(9) .
V2 O2 1.945(9) .
V2 O1 1.978(9) .
V2 V3 2.884(3) .
V2 V9 2.968(3) .
V3 O11 1.607(9) .
V3 O10 1.894(9) .
V3 O7 1.921(9) .
V3 O9 1.952(9) .
V3 O6 1.966(9) .
V3 V4 2.971(3) .
V3 V13 2.999(3) .
V4 O14 1.616(9) .
V4 O9 1.925(9) .
V4 O12 1.941(9) .
V4 O13 1.955(9) .
V4 O10 1.967(9) .
V4 V5 2.801(3) .
V4 V11 2.994(3) .
V5 O17 1.639(8) .
V5 O13 1.900(9) .
V5 O12 1.923(9) .
V5 O15 1.935(9) .
V5 O16 1.974(9) .
V5 V16 2.992(3) .
V5 V6 3.025(3) .
V6 O20 1.599(9) .
V6 O18 1.933(10) .
V6 O15 1.946(9) .
V6 O16 1.967(9) .
V6 O19 2.036(10) .
V6 V7 3.063(3) .
V7 O23 1.622(9) .
V7 O18 1.924(9) .
V7 O21 1.941(10) .
V7 O22 1.944(9) .
V7 O19 2.013(10) .
V7 V8 2.832(3) .
V7 V15 2.938(4) .
V8 O24 1.612(9) .
V8 O21 1.919(9) .
V8 O22 1.930(10) .
V8 O4 1.958(9) .
V8 O3 1.999(10) .
V8 V12 2.946(3) .
V9 O27 1.625(10) .
V9 O2 1.949(9) .
V9 O26 1.950(8) .
V9 O7 1.952(9) .
V9 O25 1.978(8) .
V9 V10 2.958(3) .
V10 O30 1.600(11) .
V10 O26 1.920(9) .
V10 O25 1.930(9) .
V10 O28 1.982(9) .
V10 O29 1.997(9) .
V10 V11 3.023(3) .
V10 V12 3.039(3) .
V11 O31 1.598(9) .
V11 O10 1.929(9) .
V11 O26 1.951(8) .
V11 O13 1.969(9) .
V11 O29 2.010(9) .
V12 O32 1.626(9) .
V12 O25 1.902(9) .
V12 O4 1.931(10) .
V12 O22 1.936(9) .
V12 O28 2.023(9) .
V13 O35 1.612(11) .
V13 O34 1.930(9) .
V13 O9 1.943(9) .
V13 O6 1.952(9) .
V13 O33 2.049(9) .
V13 V14 3.069(3) .
V14 O38 1.618(11) .
V14 O34 1.923(9) .
V14 O37 1.935(10) .
V14 O33 1.997(9) .
V14 O36 2.006(8) .
V14 V16 2.905(3) .
V14 V15 3.045(3) .
V15 O39 1.611(10) .
V15 O37 1.907(9) .
V15 O18 1.907(11) .
V15 O21 1.957(9) .
V15 O36 2.029(9) .
V16 O40 1.678(13) .
V16 O12 1.943(9) .
V16 O34 1.947(9) .
V16 O37 1.954(9) .
V16 O15 1.966(10) .
N1 C1 1.38(2) .
N2 C2 1.43(2) .
N3 C3 1.34(3) .
N4 C4 1.46(2) .
N5 C5 1.50(2) .
N6 C6 1.449(17) .
N7 C7 1.47(3) .
N8 C8 1.47(3) .
N9 C9 1.46(3) .
N10 C10 1.46(3) .
N11 C11 1.53(2) .
N12 C12 1.48(2) .
N13 C13 1.39(2) .
N14 C14 1.52(2) .
N15 C15 1.45(2) .
N16 C16 1.45(2) .
N17 C17 1.47(3) .
N18 C18 1.45(3) .
O17 Co2 2.251(10) 11_544
O39 Co3 2.154(10) 15_544
O40 Co4 2.097(12) 8
O45 Co1 2.089(10) 11_544
O45 Co2 2.233(9) 11_544
C1 C2 1.61(3) .
C3 C3 1.59(4) 10_444
C4 C5 1.47(2) .
C6 C6 1.54(2) 10_444
C7 C8 1.53(4) .
C9 C10 1.51(4) .
C11 C12 1.50(3) .
C13 C14 1.54(3) .
C15 C16 1.48(2) .
C17 C18 1.51(3) .
