#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:23:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179893 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/89/7018978.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_7018978
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         'C30 H112 Co5 Ge4 N20 O52 V16'
_chemical_formula_sum            'C30 H112 Co5 Ge4 N20 O52 V16'
_chemical_formula_weight         2985.45
_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                92.4080(10)
_cell_angle_beta                 99.9650(10)
_cell_angle_gamma                97.1860(10)
_cell_formula_units_Z            1
_cell_length_a                   12.9109(4)
_cell_length_b                   13.8561(5)
_cell_length_c                   14.8184(5)
_cell_measurement_reflns_used    5526
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.66
_cell_measurement_theta_min      2.32
_cell_volume                     2584.93(15)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            30464
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    3.376
_exptl_absorpt_correction_T_max  0.343
_exptl_absorpt_correction_T_min  0.253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1479
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.554
_refine_diff_density_min         -1.653
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         9089
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0576
_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)+(0.0914P)²+17.9967P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1607
_refine_ls_wR_factor_ref         0.1821
_reflns_number_gt                6528
_reflns_number_total             9089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30199g.txt
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_database_code               7018978
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
Co1 Co 0.98129(9) 0.29158(8) 0.09641(10) 0.0399(3) Uani 1 1 d . . .
Co2 Co 0.5000 0.0000 0.0000 0.0291(4) Uani 1 2 d S . .
Co3 Co 0.5474(4) 0.3951(5) 0.5068(3) 0.0532(11) Uani 0.615(14) 1 d P . 1
Co3' Co 0.5857(7) 0.4404(8) 0.5292(5) 0.046(2) Uani 0.385(14) 1 d P . 2
Ge1 Ge 0.56982(6) 0.52131(7) 0.31594(6) 0.0291(2) Uani 1 1 d . . .
Ge2 Ge 0.77064(6) 0.58401(6) 0.24298(6) 0.0264(2) Uani 1 1 d . A .
V1 V 0.65436(10) 0.34897(9) 0.18008(10) 0.0255(3) Uani 1 1 d . . .
V2 V 0.78792(9) 0.45136(9) 0.05375(9) 0.0212(3) Uani 1 1 d . A .
V3 V 0.76708(10) 0.58359(10) -0.09355(10) 0.0256(3) Uani 1 1 d . A .
V4 V 0.58151(10) 0.66494(10) -0.18436(10) 0.0277(3) Uani 1 1 d . . .
V5 V 0.72760(10) 0.71115(9) 0.05508(10) 0.0257(3) Uani 1 1 d . . .
V6 V 0.55630(10) 0.25593(9) -0.00253(10) 0.0243(3) Uani 1 1 d . . .
V7 V 0.64306(10) 0.40612(10) -0.18439(9) 0.0262(3) Uani 1 1 d . . .
V8 V 0.43223(10) 0.28114(10) -0.18320(10) 0.0284(3) Uani 1 1 d . . .
N1 N 0.8405(7) 0.1902(7) 0.0533(7) 0.059(3) Uani 1 1 d . . .
H1A H 0.8426 0.1384 0.0879 0.071 Uiso 1 1 calc R . .
H1B H 0.7833 0.2186 0.0607 0.071 Uiso 1 1 calc R . .
N2 N 0.9826(6) 0.2821(7) -0.0456(7) 0.058(2) Uani 1 1 d . . .
H2A H 0.9873 0.3421 -0.0669 0.069 Uiso 1 1 calc R . .
H2B H 1.0389 0.2543 -0.0567 0.069 Uiso 1 1 calc R . .
N3 N 0.9641(7) 0.3010(8) 0.2384(7) 0.070(3) Uani 1 1 d . . .
H3A H 1.0012 0.3569 0.2661 0.084 Uiso 1 1 calc R . .
H3B H 0.8954 0.3021 0.2418 0.084 Uiso 1 1 calc R . .
N4 N 1.0746(9) 0.1767(8) 0.1446(10) 0.088(4) Uani 1 1 d . . .
H4A H 1.0374 0.1177 0.1264 0.106 Uiso 1 1 calc R . .
H4B H 1.1349 0.1816 0.1214 0.106 Uiso 1 1 calc R . .
N5 N 0.3695(18) 0.0528(14) 0.0456(17) 0.071(6) Uani 0.58(2) 1 d P A 1
H5A H 0.3679 0.1158 0.0336 0.086 Uiso 0.58(2) 1 calc PR A 1
H5B H 0.3080 0.0179 0.0175 0.086 Uiso 0.58(2) 1 calc PR A 1
N6 N 0.561(3) -0.0014(18) 0.1395(19) 0.084(8) Uani 0.58(2) 1 d P A 1
H6A H 0.5524 -0.0625 0.1579 0.101 Uiso 0.58(2) 1 calc PR A 1
H6B H 0.6314 0.0207 0.1505 0.101 Uiso 0.58(2) 1 calc PR A 1
N8 N 0.7022(18) 0.4669(19) 0.5723(16) 0.077(6) Uani 0.615(14) 1 d P . 1
H8A H 0.7045 0.5320 0.5703 0.093 Uiso 0.615(14) 1 calc PR . 1
H8B H 0.7157 0.4526 0.6315 0.093 Uiso 0.615(14) 1 calc PR . 1
N7 N 0.6416(19) 0.306(2) 0.4368(15) 0.093(7) Uani 0.615(14) 1 d P . 1
H7A H 0.6192 0.2427 0.4401 0.112 Uiso 0.615(14) 1 calc PR . 1
H7B H 0.6346 0.3194 0.3772 0.112 Uiso 0.615(14) 1 calc PR . 1
N10 N 0.394(2) 0.311(2) 0.4401(16) 0.088(8) Uani 0.615(14) 1 d P . 1
H10A H 0.3413 0.3476 0.4382 0.106 Uiso 0.615(14) 1 calc PR . 1
H10B H 0.3972 0.2899 0.3824 0.106 Uiso 0.615(14) 1 calc PR . 1
N9 N 0.551(5) 0.273(5) 0.591(3) 0.095(11) Uani 0.615(14) 1 d P . 1
H9A H 0.6178 0.2580 0.6038 0.114 Uiso 0.615(14) 1 calc PR . 1
H9B H 0.5308 0.2883 0.6443 0.114 Uiso 0.615(14) 1 calc PR . 1
N5' N 0.629(3) -0.019(2) 0.105(2) 0.078(10) Uani 0.42(2) 1 d P A 2
H5'1 H 0.6338 -0.0826 0.1109 0.094 Uiso 0.42(2) 1 calc PR A 2
H5'2 H 0.6903 0.0109 0.0925 0.094 Uiso 0.42(2) 1 calc PR A 2
N6' N 0.427(3) 0.059(2) 0.101(2) 0.072(9) Uani 0.42(2) 1 d P A 2
H6'1 H 0.4380 0.1247 0.1044 0.087 Uiso 0.42(2) 1 calc PR A 2
H6'2 H 0.3570 0.0384 0.0913 0.087 Uiso 0.42(2) 1 calc PR A 2
N7' N 0.725(3) 0.525(3) 0.603(3) 0.087(11) Uani 0.385(14) 1 d P . 2
H7'1 H 0.7202 0.5893 0.6002 0.104 Uiso 0.385(14) 1 calc PR . 2
H7'2 H 0.7356 0.5114 0.6628 0.104 Uiso 0.385(14) 1 calc PR . 2
N8' N 0.698(3) 0.368(3) 0.462(3) 0.078(10) Uani 0.385(14) 1 d P . 2
H8'1 H 0.6779 0.3034 0.4534 0.094 Uiso 0.385(14) 1 calc PR . 2
H8'2 H 0.7045 0.3928 0.4079 0.094 Uiso 0.385(14) 1 calc PR . 2
N9' N 0.534(7) 0.292(7) 0.555(4) 0.096(19) Uani 0.385(14) 1 d P . 2
H9'1 H 0.5896 0.2592 0.5675 0.115 Uiso 0.385(14) 1 calc PR . 2
H9'2 H 0.4996 0.2907 0.6032 0.115 Uiso 0.385(14) 1 calc PR . 2
N10' N 0.417(3) 0.414(3) 0.521(2) 0.109(13) Uani 0.385(14) 1 d P . 2
H10C H 0.4453 0.4290 0.4713 0.131 Uiso 0.385(14) 1 calc PR . 2
H10D H 0.3539 0.4362 0.5106 0.131 Uiso 0.385(14) 1 calc PR . 2
O1 O 0.5583(4) 0.4121(4) 0.2478(4) 0.0316(13) Uani 1 1 d . . .
O2 O 0.7081(4) 0.5647(5) 0.3384(4) 0.0357(14) Uani 1 1 d . . .
O3 O 0.5097(4) 0.6085(4) 0.2505(4) 0.0321(13) Uani 1 1 d . . .
O4 O 0.5251(5) 0.5066(5) 0.4169(4) 0.0466(17) Uani 1 1 d . . .
O5 O 0.7509(4) 0.4728(4) 0.1795(4) 0.0281(12) Uani 1 1 d . . .
O6 O 0.7043(4) 0.6680(4) 0.1796(4) 0.0319(13) Uani 1 1 d . . .
O7 O 0.9027(5) 0.6281(5) 0.2838(5) 0.0471(17) Uani 1 1 d . . .
O8 O 0.6862(4) 0.3381(4) 0.0575(4) 0.0266(12) Uani 1 1 d . A .
O9 O 0.5188(4) 0.2862(4) 0.1168(4) 0.0312(13) Uani 1 1 d . . .
O10 O 0.7169(5) 0.2765(4) 0.2441(4) 0.0408(15) Uani 1 1 d . . .
O11 O 0.7898(4) 0.5909(4) 0.0404(4) 0.0253(12) Uani 1 1 d . . .
O12 O 0.7475(4) 0.4471(4) -0.0766(4) 0.0276(12) Uani 1 1 d . A .
O13 O 0.9061(4) 0.4197(4) 0.0748(4) 0.0318(13) Uani 1 1 d . . .
O14 O 0.6921(4) 0.6923(4) -0.0765(4) 0.0293(13) Uani 1 1 d . . .
O15 O 0.6471(4) 0.5464(4) -0.1928(4) 0.0284(12) Uani 1 1 d . A .
O16 O 0.8780(4) 0.6157(4) -0.1317(4) 0.0365(14) Uani 1 1 d . . .
O17 O 0.6147(5) 0.7401(5) -0.2578(5) 0.0489(17) Uani 1 1 d . . .
O18 O 0.8182(4) 0.8052(4) 0.0759(5) 0.0396(15) Uani 1 1 d . . .
O19 O 0.5758(4) 0.3064(4) -0.1192(4) 0.0294(12) Uani 1 1 d . A .
O20 O 0.4087(4) 0.2497(4) -0.0617(4) 0.0302(13) Uani 1 1 d . . .
O21 O 0.5820(5) 0.1431(4) -0.0027(5) 0.0383(15) Uani 1 1 d . A .
O22 O 0.7093(5) 0.3634(5) -0.2568(4) 0.0408(15) Uani 1 1 d . A .
O23 O 0.4099(5) 0.1856(5) -0.2524(5) 0.0483(17) Uani 1 1 d . . .
O24 O 0.5000 0.5000 1.0000 0.171(9) Uani 1 2 d S . .
H24A H 0.5115 0.4774 0.9490 0.205 Uiso 0.50 1 d PR . .
H24B H 0.5353 0.5567 1.0089 0.205 Uiso 0.50 1 d PR . .
O25 O 0.0615(6) 0.5587(7) 0.2120(7) 0.093(3) Uani 1 1 d . . .
H25C H 0.0194 0.5870 0.2389 0.112 Uiso 1 1 d R . .
H25D H 0.1243 0.5875 0.2302 0.112 Uiso 1 1 d R . .
O26 O 0.8733(14) 0.9944(9) 0.1519(13) 0.127(8) Uani 0.75(2) 1 d P B 1
H26E H 0.8592 0.9443 0.1145 0.153 Uiso 0.75(2) 1 d PR B 1
H26F H 0.8662 0.9761 0.2047 0.153 Uiso 0.75(2) 1 d PR B 1
O26' O 0.903(4) 0.986(3) 0.041(4) 0.13(3) Uani 0.25(2) 1 d P B 2
H26G H 0.8823 0.9270 0.0489 0.153 Uiso 0.25(2) 1 d PR B 2
H26H H 0.9590 0.9882 0.0173 0.153 Uiso 0.25(2) 1 d PR B 2
O27 O 0.837(2) 0.8720(17) 0.2856(17) 0.129(9) Uani 0.50 1 d P . .
H27C H 0.8488 0.8587 0.2322 0.155 Uiso 0.50 1 d PR . .
H27D H 0.7703 0.8592 0.2840 0.155 Uiso 0.50 1 d PR . .
C1 C 0.8330(10) 0.1604(11) -0.0372(10) 0.080(4) Uani 1 1 d . . .
H1C H 0.7583 0.1480 -0.0646 0.096 Uiso 1 1 calc R . .
H1D H 0.8610 0.0987 -0.0396 0.096 Uiso 1 1 calc R . .
C2 C 0.8841(11) 0.2232(11) -0.0917(9) 0.080(4) Uani 1 1 d . . .
H2 H 0.8360 0.2727 -0.1009 0.095 Uiso 1 1 calc R . .
C3 C 0.8872(12) 0.1900(12) -0.1917(11) 0.102(5) Uani 1 1 d . . .
H3C H 0.9239 0.1339 -0.1923 0.152 Uiso 1 1 calc R . .
H3D H 0.9236 0.2418 -0.2200 0.152 Uiso 1 1 calc R . .
H3E H 0.8161 0.1736 -0.2251 0.152 Uiso 1 1 calc R . .
C4 C 1.0028(14) 0.2165(13) 0.2874(13) 0.111(6) Uani 1 1 d . . .
H4C H 0.9465 0.1620 0.2806 0.133 Uiso 1 1 calc R . .
H4D H 1.0267 0.2346 0.3523 0.133 Uiso 1 1 calc R . .
C5 C 1.0984(14) 0.1882(13) 0.2417(14) 0.109(6) Uani 1 1 d . . .
H5 H 1.1518 0.2462 0.2546 0.130 Uiso 1 1 calc R . .
C6 C 1.151(2) 0.1089(19) 0.2955(19) 0.189(11) Uani 1 1 d . . .
H6C H 1.1123 0.0461 0.2748 0.284 Uiso 1 1 calc R . .
H6D H 1.1517 0.1209 0.3599 0.284 Uiso 1 1 calc R . .
H6E H 1.2230 0.1106 0.2853 0.284 Uiso 1 1 calc R . .
C7 C 0.386(3) 0.042(2) 0.146(2) 0.088(9) Uani 0.58(2) 1 d P A 1
H7C H 0.3579 -0.0238 0.1581 0.105 Uiso 0.58(2) 1 calc PR A 1
H7D H 0.3480 0.0870 0.1751 0.105 Uiso 0.58(2) 1 calc PR A 1
C8 C 0.505(4) 0.062(3) 0.189(3) 0.085(12) Uani 0.58(2) 1 d P A 1
H8 H 0.5298 0.1291 0.1777 0.102 Uiso 0.58(2) 1 calc PR A 1
C9 C 0.528(3) 0.053(2) 0.292(2) 0.114(12) Uani 0.58(2) 1 d P A 1
H9C H 0.4620 0.0365 0.3141 0.171 Uiso 0.58(2) 1 calc PR A 1
H9D H 0.5638 0.1133 0.3223 0.171 Uiso 0.58(2) 1 calc PR A 1
H9E H 0.5714 0.0021 0.3062 0.171 Uiso 0.58(2) 1 calc PR A 1
C11 C 0.781(6) 0.433(5) 0.523(5) 0.095(16) Uani 0.615(14) 1 d P . 1
H11 H 0.7712 0.4697 0.4682 0.114 Uiso 0.615(14) 1 calc PR . 1
C10 C 0.752(3) 0.330(3) 0.482(3) 0.106(10) Uani 0.615(14) 1 d P . 1
H10E H 0.7972 0.3192 0.4370 0.127 Uiso 0.615(14) 1 calc PR . 1
H10F H 0.7669 0.2851 0.5296 0.127 Uiso 0.615(14) 1 calc PR . 1
C12 C 0.896(3) 0.467(3) 0.563(2) 0.143(13) Uani 0.615(14) 1 d P . 1
H12A H 0.9076 0.5365 0.5700 0.215 Uiso 0.615(14) 1 calc PR . 1
H12B H 0.9396 0.4449 0.5215 0.215 Uiso 0.615(14) 1 calc PR . 1
H12C H 0.9144 0.4401 0.6211 0.215 Uiso 0.615(14) 1 calc PR . 1
C14 C 0.377(3) 0.227(3) 0.497(2) 0.110(10) Uani 0.615(14) 1 d P . 1
H14 H 0.3462 0.2518 0.5481 0.132 Uiso 0.615(14) 1 calc PR . 1
C13 C 0.479(2) 0.189(2) 0.542(2) 0.109(9) Uani 0.615(14) 1 d P . 1
H13A H 0.4638 0.1404 0.5846 0.131 Uiso 0.615(14) 1 calc PR . 1
H13B H 0.5122 0.1597 0.4955 0.131 Uiso 0.615(14) 1 calc PR . 1
C15 C 0.294(3) 0.145(3) 0.448(2) 0.145(13) Uani 0.615(14) 1 d P . 1
H15A H 0.2251 0.1571 0.4565 0.217 Uiso 0.615(14) 1 calc PR . 1
H15B H 0.3091 0.0842 0.4719 0.217 Uiso 0.615(14) 1 calc PR . 1
H15C H 0.2969 0.1428 0.3832 0.217 Uiso 0.615(14) 1 calc PR . 1
C7' C 0.601(4) 0.027(3) 0.188(3) 0.087(14) Uani 0.42(2) 1 d P A 2
H7'3 H 0.6321 0.0951 0.1950 0.105 Uiso 0.42(2) 1 calc PR A 2
H7'4 H 0.6316 -0.0047 0.2412 0.105 Uiso 0.42(2) 1 calc PR A 2
C8' C 0.482(6) 0.020(4) 0.183(5) 0.090(18) Uani 0.42(2) 1 d P A 2
H8' H 0.4789 0.0720 0.2290 0.108 Uiso 0.42(2) 1 calc PR A 2
C9' C 0.422(4) -0.065(3) 0.219(3) 0.124(17) Uani 0.42(2) 1 d P A 2
H9'3 H 0.3670 -0.0960 0.1713 0.186 Uiso 0.42(2) 1 calc PR A 2
H9'4 H 0.3916 -0.0422 0.2694 0.186 Uiso 0.42(2) 1 calc PR A 2
H9'5 H 0.4700 -0.1102 0.2400 0.186 Uiso 0.42(2) 1 calc PR A 2
C10' C 0.814(4) 0.500(4) 0.560(3) 0.084(12) Uani 0.385(14) 1 d P . 2
H10G H 0.8798 0.5156 0.6034 0.101 Uiso 0.385(14) 1 calc PR . 2
H10H H 0.8183 0.5381 0.5073 0.101 Uiso 0.385(14) 1 calc PR . 2
C11' C 0.798(9) 0.391(8) 0.529(8) 0.09(2) Uani 0.385(14) 1 d P . 2
H11' H 0.7915 0.3534 0.5829 0.108 Uiso 0.385(14) 1 calc PR . 2
C12' C 0.892(3) 0.360(4) 0.489(3) 0.107(15) Uani 0.385(14) 1 d P . 2
H12D H 0.8780 0.2911 0.4718 0.161 Uiso 0.385(14) 1 calc PR . 2
H12E H 0.9554 0.3736 0.5337 0.161 Uiso 0.385(14) 1 calc PR . 2
H12F H 0.8994 0.3950 0.4355 0.161 Uiso 0.385(14) 1 calc PR . 2
C14' C 0.379(5) 0.311(5) 0.494(5) 0.110(17) Uani 0.385(14) 1 d P . 2
H14' H 0.3354 0.3151 0.4338 0.132 Uiso 0.385(14) 1 calc PR . 2
C13' C 0.462(4) 0.250(4) 0.471(4) 0.110(15) Uani 0.385(14) 1 d P . 2
H13C H 0.4402 0.1803 0.4710 0.132 Uiso 0.385(14) 1 calc PR . 2
H13D H 0.4869 0.2663 0.4147 0.132 Uiso 0.385(14) 1 calc PR . 2
C15' C 0.298(4) 0.263(4) 0.548(3) 0.126(18) Uani 0.385(14) 1 d P . 2
H15D H 0.3187 0.2842 0.6120 0.189 Uiso 0.385(14) 1 calc PR . 2
H15E H 0.2955 0.1932 0.5416 0.189 Uiso 0.385(14) 1 calc PR . 2
H15F H 0.2294 0.2803 0.5251 0.189 Uiso 0.385(14) 1 calc PR . 2
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'
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
O16 Co1 N2 95.7(3) 2_765 .
O16 Co1 O13 86.5(2) 2_765 .
N2 Co1 O13 87.3(3) . .
O16 Co1 N1 176.0(3) 2_765 .
N2 Co1 N1 81.3(4) . .
O13 Co1 N1 95.9(3) . .
O16 Co1 N3 88.5(3) 2_765 .
N2 Co1 N3 174.7(3) . .
O13 Co1 N3 89.7(3) . .
N1 Co1 N3 94.6(4) . .
O16 Co1 N4 85.6(4) 2_765 .
N2 Co1 N4 101.9(5) . .
O13 Co1 N4 168.4(4) . .
N1 Co1 N4 92.5(4) . .
N3 Co1 N4 81.6(5) . .
N6 Co2 N6 180.0(6) . 2_655
N6 Co2 N6' 58.0(14) . .
N6 Co2 N6' 122.0(14) 2_655 .
N6 Co2 N6' 122.0(14) . 2_655
N6 Co2 N6' 58.0(14) 2_655 2_655
N6' Co2 N6' 180.0(18) . 2_655
N6 Co2 N5' 31.2(11) . .
N6 Co2 N5' 148.8(11) 2_655 .
N6' Co2 N5' 88.4(14) . .
N6' Co2 N5' 91.6(14) 2_655 .
N6 Co2 N5' 148.8(11) . 2_655
N6 Co2 N5' 31.2(11) 2_655 2_655
N6' Co2 N5' 91.6(14) . 2_655
N6' Co2 N5' 88.4(14) 2_655 2_655
N5' Co2 N5' 180.0(18) . 2_655
N6 Co2 N5 84.6(12) . .
N6 Co2 N5 95.4(12) 2_655 .
N6' Co2 N5 27.5(9) . .
N6' Co2 N5 152.5(9) 2_655 .
N5' Co2 N5 115.5(12) . .
N5' Co2 N5 64.5(12) 2_655 .
N6 Co2 N5 95.4(12) . 2_655
N6 Co2 N5 84.6(12) 2_655 2_655
N6' Co2 N5 152.5(9) . 2_655
N6' Co2 N5 27.5(9) 2_655 2_655
N5' Co2 N5 64.5(12) . 2_655
N5' Co2 N5 115.5(12) 2_655 2_655
N5 Co2 N5 180.0(11) . 2_655
N6 Co2 O21 89.7(7) . 2_655
N6 Co2 O21 90.3(7) 2_655 2_655
N6' Co2 O21 93.7(8) . 2_655
N6' Co2 O21 86.3(8) 2_655 2_655
N5' Co2 O21 95.0(7) . 2_655
N5' Co2 O21 85.0(7) 2_655 2_655
N5 Co2 O21 87.1(5) . 2_655
N5 Co2 O21 92.9(5) 2_655 2_655
N6 Co2 O21 90.3(7) . .
N6 Co2 O21 89.7(7) 2_655 .
N6' Co2 O21 86.3(8) . .
N6' Co2 O21 93.7(8) 2_655 .
N5' Co2 O21 85.0(7) . .
N5' Co2 O21 95.0(7) 2_655 .
N5 Co2 O21 92.9(5) . .
N5 Co2 O21 87.1(5) 2_655 .
O21 Co2 O21 180.0(3) 2_655 .
O4 Co3 O4 77.9(3) . 2_666
O4 Co3 N9 173.0(17) . .
O4 Co3 N9 101.9(16) 2_666 .
O4 Co3 N8 92.3(7) . .
O4 Co3 N8 89.8(7) 2_666 .
N9 Co3 N8 94.7(18) . .
O4 Co3 N7 101.6(7) . .
O4 Co3 N7 172.4(8) 2_666 .
N9 Co3 N7 79.6(18) . .
N8 Co3 N7 82.6(9) . .
O4 Co3 N10 91.1(7) . .
O4 Co3 N10 93.9(9) 2_666 .
N9 Co3 N10 82.0(18) . .
N8 Co3 N10 175.5(11) . .
N7 Co3 N10 93.8(11) . .
O4 Co3' O4 84.0(3) 2_666 .
O4 Co3' N7' 101.7(12) 2_666 .
O4 Co3' N7' 111.1(12) . .
O4 Co3' N10' 41.0(10) 2_666 .
O4 Co3' N10' 75.1(11) . .
N7' Co3' N10' 142.5(16) . .
O4 Co3' N9' 94(3) 2_666 .
O4 Co3' N9' 123.9(19) . .
N7' Co3' N9' 124(2) . .
N10' Co3' N9' 68(3) . .
O4 Co3' N10' 75.4(11) 2_666 2_666
O4 Co3' N10' 40.0(9) . 2_666
N7' Co3' N10' 74.7(15) . 2_666
N10' Co3' N10' 93.8(14) . 2_666
N9' Co3' N10' 161(2) . 2_666
O4 Co3' N8' 174.2(13) 2_666 .
O4 Co3' N8' 95.3(11) . .
N7' Co3' N8' 84.0(16) . .
N10' Co3' N8' 133.3(16) . .
N9' Co3' N8' 81(3) . .
N10' Co3' N8' 107.7(15) 2_666 .
O4 Co3' Co3' 42.8(2) 2_666 2_666
O4 Co3' Co3' 41.2(2) . 2_666
N7' Co3' Co3' 112.3(12) . 2_666
N10' Co3' Co3' 47.5(11) . 2_666
N9' Co3' Co3' 115(2) . 2_666
N10' Co3' Co3' 46.3(10) 2_666 2_666
N8' Co3' Co3' 136.2(11) . 2_666
O4 Ge1 O3 112.9(3) . .
O4 Ge1 O1 113.7(3) . .
O3 Ge1 O1 109.5(3) . .
O4 Ge1 O2 109.8(3) . .
O3 Ge1 O2 105.6(3) . .
O1 Ge1 O2 104.7(3) . .
O7 Ge2 O5 114.1(3) . .
O7 Ge2 O6 112.2(3) . .
O5 Ge2 O6 109.6(3) . .
O7 Ge2 O2 107.7(3) . .
O5 Ge2 O2 106.4(3) . .
O6 Ge2 O2 106.3(3) . .
O10 V1 O9 111.9(3) . .
O10 V1 O8 109.9(3) . .
O9 V1 O8 81.1(2) . .
O10 V1 O1 110.2(3) . .
O9 V1 O1 79.4(2) . .
O8 V1 O1 139.6(2) . .
O10 V1 O5 108.5(3) . .
O9 V1 O5 139.1(2) . .
O8 V1 O5 79.1(2) . .
O1 V1 O5 93.1(2) . .
O10 V1 V6 112.3(2) . .
O9 V1 V6 40.86(17) . .
O8 V1 V6 40.93(15) . .
O1 V1 V6 115.75(17) . .
O5 V1 V6 115.36(17) . .
O10 V1 V2 112.8(2) . .
O9 V1 V2 113.23(18) . .
O8 V1 V2 38.03(15) . .
O1 V1 V2 124.78(17) . .
O5 V1 V2 41.19(16) . .
V6 V1 V2 77.01(5) . .
O10 V1 V4 115.1(2) . 2_665
O9 V1 V4 38.17(17) . 2_665
O8 V1 V4 113.68(16) . 2_665
O1 V1 V4 41.43(16) . 2_665
O5 V1 V4 124.93(17) . 2_665
V6 V1 V4 77.24(5) . 2_665
V2 V1 V4 131.26(6) . 2_665
O13 V2 O12 106.6(3) . .
O13 V2 O8 108.5(3) . .
O12 V2 O8 90.0(2) . .
O13 V2 O11 112.7(2) . .
O12 V2 O11 81.8(2) . .
O8 V2 O11 138.6(2) . .
O13 V2 O5 104.1(3) . .
O12 V2 O5 149.2(2) . .
O8 V2 O5 78.6(2) . .
O11 V2 O5 88.0(2) . .
O13 V2 V3 111.6(2) . .
O12 V2 V3 40.44(16) . .
O8 V2 V3 122.86(17) . .
O11 V2 V3 41.86(16) . .
O5 V2 V3 126.36(16) . .
O13 V2 V1 108.9(2) . .
O12 V2 V1 124.17(16) . .
O8 V2 V1 38.21(16) . .
O11 V2 V1 120.07(16) . .
O5 V2 V1 40.49(15) . .
V3 V2 V1 139.51(6) . .
O16 V3 O12 111.1(3) . .
O16 V3 O14 112.3(3) . .
O12 V3 O14 136.6(2) . .
O16 V3 O15 112.2(3) . .
O12 V3 O15 82.1(2) . .
O14 V3 O15 82.3(2) . .
O16 V3 O11 111.7(3) . .
O12 V3 O11 81.8(2) . .
O14 V3 O11 82.0(2) . .
O15 V3 O11 136.1(2) . .
O16 V3 V7 114.2(2) . .
O12 V3 V7 40.82(17) . .
O14 V3 V7 117.06(17) . .
O15 V3 V7 41.85(16) . .
O11 V3 V7 115.67(15) . .
O16 V3 V2 114.0(2) . .
O12 V3 V2 40.41(17) . .
O14 V3 V2 116.66(17) . .
O15 V3 V2 115.50(16) . .
O11 V3 V2 41.81(15) . .
V7 V3 V2 78.77(5) . .
O16 V3 V4 115.7(2) . .
O12 V3 V4 116.29(17) . .
O14 V3 V4 41.15(17) . .
O15 V3 V4 41.53(16) . .
O11 V3 V4 115.68(16) . .
V7 V3 V4 80.76(5) . .
V2 V3 V4 130.20(5) . .
O16 V3 V5 115.5(2) . .
O12 V3 V5 116.09(17) . .
O14 V3 V5 40.60(17) . .
O15 V3 V5 115.40(17) . .
O11 V3 V5 41.77(15) . .
V7 V3 V5 130.32(5) . .
V2 V3 V5 80.82(5) . .
V4 V3 V5 78.89(5) . .
O17 V4 O9 111.4(3) . 2_665
O17 V4 O14 105.6(3) . .
O9 V4 O14 90.0(2) 2_665 .
O17 V4 O15 111.2(3) . .
O9 V4 O15 137.3(2) 2_665 .
O14 V4 O15 81.6(2) . .
O17 V4 O1 105.0(3) . 2_665
O9 V4 O1 77.9(2) 2_665 2_665
O14 V4 O1 149.4(2) . 2_665
O15 V4 O1 88.4(2) . 2_665
O17 V4 V3 110.2(2) . .
O9 V4 V3 122.19(18) 2_665 .
O14 V4 V3 40.66(16) . .
O15 V4 V3 41.37(16) . .
O1 V4 V3 126.15(17) 2_665 .
O17 V4 V1 111.0(2) . 2_665
O9 V4 V1 37.75(17) 2_665 2_665
O14 V4 V1 124.06(17) . 2_665
O15 V4 V1 119.85(16) . 2_665
O1 V4 V1 40.26(16) 2_665 2_665
V3 V4 V1 138.78(6) . 2_665
O18 V5 O14 105.6(3) . .
O18 V5 O20 109.7(3) . 2_665
O14 V5 O20 91.4(2) . 2_665
O18 V5 O11 111.3(3) . .
O14 V5 O11 81.8(2) . .
O20 V5 O11 138.7(2) 2_665 .
O18 V5 O6 105.5(3) . .
O14 V5 O6 148.9(2) . .
O20 V5 O6 78.1(2) 2_665 .
O11 V5 O6 87.0(2) . .
O18 V5 V3 110.4(2) . .
O14 V5 V3 40.54(16) . .
O20 V5 V3 123.75(18) 2_665 .
O11 V5 V3 41.62(16) . .
O6 V5 V3 124.96(16) . .
O18 V5 V8 110.7(2) . 2_665
O14 V5 V8 125.02(16) . 2_665
O20 V5 V8 38.03(17) 2_665 2_665
O11 V5 V8 119.09(16) . 2_665
O6 V5 V8 40.15(16) . 2_665
V3 V5 V8 138.81(5) . 2_665
O21 V6 O19 108.3(3) . .
O21 V6 O20 105.9(3) . .
O19 V6 O20 80.3(2) . .
O21 V6 O8 107.0(3) . .
O19 V6 O8 89.8(2) . .
O20 V6 O8 147.1(2) . .
O21 V6 O9 106.7(3) . .
O19 V6 O9 145.0(2) . .
O20 V6 O9 90.6(2) . .
O8 V6 O9 79.7(2) . .
O21 V6 V8 107.2(2) . .
O19 V6 V8 40.10(16) . .
O20 V6 V8 40.81(17) . .
O8 V6 V8 126.13(17) . .
O9 V6 V8 126.65(17) . .
O21 V6 V1 106.7(2) . .
O19 V6 V1 125.74(17) . .
O20 V6 V1 126.78(18) . .
O8 V6 V1 40.40(16) . .
O9 V6 V1 39.94(16) . .
V8 V6 V1 146.12(6) . .
O22 V7 O12 104.5(3) . .
O22 V7 O19 113.0(3) . .
O12 V7 O19 90.5(2) . .
O22 V7 O15 109.7(3) . .
O12 V7 O15 81.8(2) . .
O19 V7 O15 137.1(2) . .
O22 V7 O3 105.8(3) . 2_665
O12 V7 O3 149.7(2) . 2_665
O19 V7 O3 77.9(2) . 2_665
O15 V7 O3 87.8(2) . 2_665
O22 V7 V3 107.8(2) . .
O12 V7 V3 40.62(16) . .
O19 V7 V3 122.94(18) . .
O15 V7 V3 41.73(16) . .
O3 V7 V3 126.35(18) 2_665 .
O22 V7 V8 113.0(2) . .
O12 V7 V8 124.16(16) . .
O19 V7 V8 37.42(16) . .
O15 V7 V8 119.39(16) . .
O3 V7 V8 40.60(16) 2_665 .
V3 V7 V8 139.26(6) . .
O23 V8 O19 113.1(3) . .
O23 V8 O20 111.3(3) . .
O19 V8 O20 81.1(2) . .
O23 V8 O6 108.7(3) . 2_665
O19 V8 O6 137.8(2) . 2_665
O20 V8 O6 78.7(2) . 2_665
O23 V8 O3 107.1(3) . 2_665
O19 V8 O3 78.8(2) . 2_665
O20 V8 O3 141.1(2) . 2_665
O6 V8 O3 94.5(2) 2_665 2_665
O23 V8 V6 114.4(3) . .
O19 V8 V6 40.72(16) . .
O20 V8 V6 41.05(16) . .
O6 V8 V6 114.58(18) 2_665 .
O3 V8 V6 115.65(17) 2_665 .
O23 V8 V7 114.1(2) . .
O19 V8 V7 37.67(16) . .
O20 V8 V7 113.83(17) . .
O6 V8 V7 125.05(17) 2_665 .
O3 V8 V7 41.28(16) 2_665 .
V6 V8 V7 76.84(5) . .
O23 V8 V5 114.1(2) . 2_665
O19 V8 V5 112.47(18) . 2_665
O20 V8 V5 37.75(16) . 2_665
O6 V8 V5 41.05(17) 2_665 2_665
O3 V8 V5 126.41(17) 2_665 2_665
V6 V8 V5 76.56(5) . 2_665
V7 V8 V5 131.16(6) . 2_665
C1 N1 Co1 109.5(7) . .
C2 N2 Co1 108.2(7) . .
C4 N3 Co1 111.3(10) . .
C5 N4 Co1 107.6(10) . .
C7 N5 Co2 105.7(18) . .
C8 N6 Co2 107(3) . .
C11 N8 Co3 108(4) . .
C10 N7 Co3 108(2) . .
C14 N10 Co3 106(2) . .
C13 N9 Co3 109(2) . .
C7' N5' Co2 103(3) . .
C8' N6' Co2 101(4) . .
C10' N7' Co3' 106(3) . .
C11' N8' Co3' 103(5) . .
C13' N9' Co3' 106(4) . .
O4 N10' C14' 154(4) 2_666 .
O4 N10' Co3' 62.6(14) 2_666 .
C14' N10' Co3' 110(3) . .
O4 N10' Co3' 63.8(15) 2_666 2_666
C14' N10' Co3' 142(4) . 2_666
Co3' N10' Co3' 86.2(14) . 2_666
Ge1 O1 V1 134.8(3) . .
Ge1 O1 V4 124.5(3) . 2_665
V1 O1 V4 98.3(2) . 2_665
Ge2 O2 Ge1 117.2(3) . .
Ge1 O3 V8 132.6(3) . 2_665
Ge1 O3 V7 126.1(3) . 2_665
V8 O3 V7 98.1(2) 2_665 2_665
N10' O4 Ge1 105.4(16) 2_666 .
N10' O4 Co3' 76.4(16) 2_666 2_666
Ge1 O4 Co3' 133.5(4) . 2_666
N10' O4 Co3' 76.2(16) 2_666 .
Ge1 O4 Co3' 130.0(4) . .
Co3' O4 Co3' 96.0(3) 2_666 .
N10' O4 Co3 97.2(16) 2_666 .
Ge1 O4 Co3 128.1(4) . .
Co3' O4 Co3 96.8(3) 2_666 .
Co3' O4 Co3 21.5(2) . .
N10' O4 Co3 55.7(16) 2_666 2_666
Ge1 O4 Co3 129.3(4) . 2_666
Co3' O4 Co3 21.2(2) 2_666 2_666
Co3' O4 Co3 93.7(3) . 2_666
Co3 O4 Co3 102.1(3) . 2_666
Ge2 O5 V1 133.6(3) . .
Ge2 O5 V2 125.4(3) . .
V1 O5 V2 98.3(2) . .
Ge2 O6 V8 133.0(3) . 2_665
Ge2 O6 V5 126.2(3) . .
V8 O6 V5 98.8(3) 2_665 .
V2 O8 V1 103.8(2) . .
V2 O8 V6 147.7(3) . .
V1 O8 V6 98.7(2) . .
V1 O9 V4 104.1(3) . 2_665
V1 O9 V6 99.2(2) . .
V4 O9 V6 147.8(3) 2_665 .
V2 O11 V3 96.3(2) . .
V2 O11 V5 150.3(3) . .
V3 O11 V5 96.6(2) . .
V2 O12 V3 99.2(2) . .
V2 O12 V7 148.8(3) . .
V3 O12 V7 98.6(3) . .
V2 O13 Co1 139.7(3) . .
V3 O14 V5 98.9(3) . .
V3 O14 V4 98.2(3) . .
V5 O14 V4 147.5(3) . .
V3 O15 V7 96.4(2) . .
V3 O15 V4 97.1(2) . .
V7 O15 V4 150.6(3) . .
V3 O16 Co1 140.4(4) . 2_765
V8 O19 V7 104.9(3) . .
V8 O19 V6 99.2(2) . .
V7 O19 V6 148.2(3) . .
V5 O20 V8 104.2(3) 2_665 .
V5 O20 V6 146.5(3) 2_665 .
V8 O20 V6 98.1(2) . .
V6 O21 Co2 138.7(3) . .
N1 C1 C2 117.4(12) . .
C1 C2 N2 116.0(12) . .
C1 C2 C3 119.9(13) . .
N2 C2 C3 112.9(12) . .
N3 C4 C5 106.4(13) . .
N4 C5 C6 119.0(19) . .
N4 C5 C4 113.8(14) . .
C6 C5 C4 109.8(17) . .
N5 C7 C8 111(3) . .
N6 C8 C9 113(4) . .
N6 C8 C7 108(3) . .
C9 C8 C7 114(4) . .
N8 C11 C12 117(6) . .
N8 C11 C10 114(5) . .
C12 C11 C10 118(5) . .
N7 C10 C11 114(4) . .
N10 C14 C15 113(3) . .
N10 C14 C13 114(3) . .
C15 C14 C13 112(3) . .
N9 C13 C14 108(3) . .
N5' C7' C8' 112(5) . .
N6' C8' C9' 116(5) . .
N6' C8' C7' 114(5) . .
C9' C8' C7' 120(5) . .
N7' C10' C11' 112(5) . .
N8' C11' C12' 111(8) . .
N8' C11' C10' 109(6) . .
C12' C11' C10' 113(8) . .
N10' C14' C13' 116(5) . .
N10' C14' C15' 115(5) . .
C13' C14' C15' 116(7) . .
N9' C13' C14' 89(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O16 2.063(6) 2_765
Co1 N2 2.107(10) .
Co1 O13 2.137(6) .
Co1 N1 2.137(8) .
Co1 N3 2.154(10) .
Co1 N4 2.185(11) .
Co2 N6 2.08(3) .
Co2 N6 2.08(3) 2_655
Co2 N6' 2.09(3) .
Co2 N6' 2.09(3) 2_655
Co2 N5' 2.12(3) .
Co2 N5' 2.12(3) 2_655
Co2 N5 2.12(2) .
Co2 N5 2.12(2) 2_655
Co2 O21 2.133(5) 2_655
Co2 O21 2.133(5) .
Co3 O4 2.096(8) .
Co3 O4 2.136(8) 2_666
Co3 N9 2.14(5) .
Co3 N8 2.16(2) .
Co3 N7 2.18(2) .
Co3 N10 2.21(3) .
Co3' O4 1.958(8) 2_666
Co3' O4 2.019(8) .
Co3' N7' 2.13(4) .
Co3' N10' 2.14(4) .
Co3' N9' 2.15(10) .
Co3' N10' 2.19(4) 2_666
Co3' N8' 2.21(4) .
Co3' Co3' 2.956(9) 2_666
Ge1 O4 1.705(6) .
Ge1 O3 1.753(6) .
Ge1 O1 1.759(6) .
Ge1 O2 1.780(5) .
Ge2 O7 1.732(6) .
Ge2 O5 1.738(5) .
Ge2 O6 1.742(6) .
Ge2 O2 1.759(6) .
V1 O10 1.606(6) .
V1 O9 1.918(6) .
V1 O8 1.934(5) .
V1 O1 1.985(6) .
V1 O5 1.992(5) .
V1 V6 2.949(2) .
V1 V2 3.0362(17) .
V1 V4 3.0390(18) 2_665
V2 O13 1.622(5) .
V2 O12 1.909(6) .
V2 O8 1.926(5) .
V2 O11 1.950(5) .
V2 O5 2.021(5) .
V2 V3 2.9069(18) .
V3 O16 1.646(5) .
V3 O12 1.910(5) .
V3 O14 1.920(5) .
V3 O15 1.943(6) .
V3 O11 1.952(6) .
V3 V7 2.9006(19) .
V3 V4 2.9169(18) .
V3 V5 2.919(2) .
V4 O17 1.612(6) .
V4 O9 1.936(6) 2_665
V4 O14 1.939(6) .
V4 O15 1.949(6) .
V4 O1 2.032(6) 2_665
V4 V1 3.0390(18) 2_665
V5 O18 1.619(5) .
V5 O14 1.923(6) .
V5 O20 1.923(5) 2_665
V5 O11 1.957(5) .
V5 O6 2.023(6) .
V5 V8 3.0444(19) 2_665
V6 O21 1.638(6) .
V6 O19 1.937(6) .
V6 O20 1.944(5) .
V6 O8 1.955(5) .
V6 O9 1.955(6) .
V6 V8 2.931(2) .
V7 O22 1.620(6) .
V7 O12 1.917(6) .
V7 O19 1.923(5) .
V7 O15 1.948(5) .
V7 O3 2.027(5) 2_665
V7 V8 3.0412(18) .
V8 O23 1.605(6) .
V8 O19 1.912(5) .
V8 O20 1.935(6) .
V8 O6 1.986(6) 2_665
V8 O3 1.999(6) 2_665
V8 V5 3.0444(19) 2_665
N1 C1 1.370(15) .
N2 C2 1.465(14) .
N3 C4 1.497(18) .
N4 C5 1.42(2) .
N5 C7 1.49(4) .
N6 C8 1.46(7) .
N8 C11 1.46(7) .
N7 C10 1.46(4) .
N10 C14 1.48(5) .
N9 C13 1.47(7) .
N5' C7' 1.48(6) .
N6' C8' 1.45(8) .
N7' C10' 1.47(6) .
N8' C11' 1.48(14) .
N9' C13' 1.48(10) .
N10' O4 1.45(4) 2_666
N10' C14' 1.46(8) .
N10' Co3' 2.19(4) 2_666
O1 V4 2.032(6) 2_665
O3 V8 1.999(6) 2_665
O3 V7 2.027(5) 2_665
O4 N10' 1.45(4) 2_666
O4 Co3' 1.958(8) 2_666
O4 Co3 2.136(8) 2_666
O6 V8 1.986(6) 2_665
O9 V4 1.936(6) 2_665
O16 Co1 2.063(5) 2_765
O20 V5 1.923(5) 2_665
C1 C2 1.394(18) .
C2 C3 1.54(2) .
C4 C5 1.59(2) .
C5 C6 1.54(3) .
C7 C8 1.54(6) .
C8 C9 1.53(6) .
C11 C12 1.51(9) .
C11 C10 1.51(8) .
C14 C15 1.52(4) .
C14 C13 1.54(5) .
C7' C8' 1.52(10) .
C8' C9' 1.50(7) .
C10' C11' 1.54(12) .
C11' C12' 1.53(10) .
C14' C13' 1.52(9) .
C14' C15' 1.53(8) .
