# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 993176'
_audit_update_record             
;
2014-03-23 deposited with the CCDC.
2016-11-25 downloaded from the CCDC.
;
#=====================================================================
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            {[Co3(N3)2(V4O12)(tzmb)2(H2O)3].5H2O}n
_chemical_melting_point          'not measured'
_chemical_formula_moiety         {[Co3(N3)2(V4O12)(tzmb)2(H2O)3].5H2O}n
_chemical_formula_sum            'C24 H34 Co3 N18 O20 V4'
_chemical_formula_weight         1275.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3497(17)
_cell_length_b                   12.145(3)
_cell_length_c                   20.743(5)
_cell_angle_alpha                88.020(13)
_cell_angle_beta                 82.993(13)
_cell_angle_gamma                68.326(7)
_cell_volume                     2172.4(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6445
_cell_measurement_theta_min      2.0462
_cell_measurement_theta_max      27.4700

_exptl_crystal_description       sheet
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1274
_exptl_absorpt_coefficient_mu    2.037
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17993
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         25.50
_reflns_number_total             8025
_reflns_number_gt                6126
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0914P)²+1.2808P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8025
_refine_ls_number_parameters     664
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1489
_refine_ls_wR_factor_gt          0.1414
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.002

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 0.41545(3) 0.18418(3) -0.167512(15) 0.01452(8) Uani 1 1 d . . .
Co2 Co 0.40618(3) 0.18603(3) -0.335542(15) 0.01471(8) Uani 1 1 d . . .
Co3 Co 0.74743(3) 0.53066(3) -0.248503(15) 0.01615(8) Uani 1 1 d . . .
V1 V 0.37303(4) 0.38582(4) -0.03391(2) 0.01879(11) Uani 1 1 d . . .
V2 V 0.48829(4) 0.40119(4) 0.10164(2) 0.01957(11) Uani 1 1 d . . .
V3 V 0.24644(4) 0.38423(4) -0.46770(2) 0.01759(11) Uani 1 1 d . . .
V4 V 0.09560(4) 0.39524(4) -0.60244(2) 0.01776(11) Uani 1 1 d . . .
O1 O 0.3768(2) 0.28539(15) -0.08727(8) 0.0249(5) Uani 1 1 d . . .
O1W O 0.8581(2) 0.65685(16) -0.22779(9) 0.0338(6) Uani 1 1 d D . .
H1WA H 0.860(3) 0.6959(8) -0.2624(3) 0.051 Uiso 1 1 d D . .
H1WB H 0.8579(16) 0.7028(7) -0.1979(3) 0.051 Uiso 1 1 d D . .
O2 O 0.4747(2) 0.47469(17) -0.06827(10) 0.0406(6) Uani 1 1 d . . .
O2W O 0.5280(2) 0.66934(17) -0.26418(9) 0.0359(6) Uani 1 1 d D . .
H2WA H 0.4606(9) 0.6859(13) -0.2310(4) 0.054 Uiso 1 1 d D . .
H2WB H 0.5475(9) 0.7324(5) -0.2701(10) 0.054 Uiso 1 1 d D . .
O3W O 0.3178(2) 0.05329(16) -0.36168(9) 0.0300(5) Uani 1 1 d . . .
O3 O 0.1966(2) 0.46491(19) -0.01071(10) 0.0411(6) Uani 1 1 d . . .
O4 O 0.4627(2) 0.31703(15) 0.03712(8) 0.0250(5) Uani 1 1 d . . .
O4W O 0.7327(3) 0.8031(2) -0.11130(11) 0.0602(9) Uani 1 1 d D . .
H4WA H 0.6875(14) 0.8435(12) -0.1422(3) 0.090 Uiso 1 1 d D . .
H4WB H 0.6585(9) 0.8115(19) -0.0813(4) 0.090 Uiso 1 1 d D . .
O5 O 0.32640(18) 0.45151(15) 0.15291(8) 0.0226(5) Uani 1 1 d . . .
O5W O 0.4685(3) -0.1873(2) -0.40096(12) 0.0648(9) Uani 1 1 d D . .
H5WA H 0.4484(9) -0.2494(5) -0.4052(8) 0.097 Uiso 1 1 d D . .
H5WB H 0.5328(8) -0.2075(15) -0.3731(4) 0.097 Uiso 1 1 d D . .
O6 O 0.6299(2) 0.3181(2) 0.14094(10) 0.0403(7) Uani 1 1 d . . .
O7 O 0.3311(2) 0.28169(16) -0.41485(8) 0.0260(5) Uani 1 1 d . . .
O8 O 0.0685(2) 0.4870(2) -0.43247(10) 0.0438(7) Uani 1 1 d . . .
O9 O 0.3597(2) 0.45377(18) -0.49183(10) 0.0388(6) Uani 1 1 d . . .
O10 O 0.2104(2) 0.32008(15) -0.53867(8) 0.0254(5) Uani 1 1 d . . .
O11 O 0.19689(19) 0.45023(16) -0.65600(8) 0.0258(5) Uani 1 1 d . . .
O12 O 0.0454(2) 0.30304(18) -0.64081(10) 0.0373(6) Uani 1 1 d . . .
N4 N 0.6366(2) 0.40596(18) -0.26344(10) 0.0192(5) Uani 1 1 d . . .
N3 N 0.5989(2) 0.34900(18) -0.21138(10) 0.0213(6) Uani 1 1 d . . .
N2 N 0.5214(2) 0.28718(17) -0.22915(9) 0.0179(5) Uani 1 1 d . . .
N1 N 0.5093(2) 0.29882(17) -0.29322(9) 0.0152(5) Uani 1 1 d . . .
N5 N 0.7321(2) 0.32822(17) -0.42193(10) 0.0177(5) Uani 1 1 d . . .
N6 N 1.3782(2) -0.08064(18) -0.60848(10) 0.0194(6) Uani 1 1 d . . .
N7 N 0.6325(2) 0.06324(19) -0.14008(10) 0.0237(6) Uani 1 1 d . . .
N8 N 0.7506(3) 0.0569(3) -0.17363(14) 0.0573(10) Uani 1 1 d . . .
N9 N 0.8689(4) 0.0440(6) -0.2060(2) 0.149(3) Uani 1 1 d . . .
N11 N 0.1997(2) 0.28849(17) -0.20815(9) 0.0168(5) Uani 1 1 d . . .
N12 N 0.1962(2) 0.27758(18) -0.27218(10) 0.0186(6) Uani 1 1 d . . .
N13 N 0.0608(2) 0.34032(18) -0.28898(9) 0.0194(6) Uani 1 1 d . . .
N14 N -0.0308(2) 0.39682(18) -0.23546(10) 0.0173(5) Uani 1 1 d . . .
N15 N -0.0495(2) 0.32323(17) -0.07682(10) 0.0173(5) Uani 1 1 d . . .
N16 N -0.3098(2) -0.07423(18) 0.11301(10) 0.0218(6) Uani 1 1 d . . .
N17 N 0.4660(2) 0.08224(18) -0.25308(10) 0.0201(6) Uani 1 1 d . . .
N18 N 0.5318(3) -0.02079(19) -0.25632(11) 0.0308(7) Uani 1 1 d . . .
N19 N 0.6004(4) -0.1225(3) -0.26050(18) 0.0761(13) Uani 1 1 d . . .
C1 C 0.5815(2) 0.3716(2) -0.31334(11) 0.0151(6) Uani 1 1 d . . .
C2 C 0.5960(3) 0.4153(2) -0.38148(11) 0.0182(6) Uani 1 1 d . . .
H2A H 0.5020 0.4271 -0.4007 0.022 Uiso 1 1 calc R . .
H2B H 0.6087 0.4910 -0.3807 0.022 Uiso 1 1 calc R . .
C3 C 0.7119(3) 0.2908(2) -0.47847(12) 0.0230(7) Uani 1 1 d . . .
H3A H 0.6137 0.3173 -0.4921 0.028 Uiso 1 1 calc R . .
C4 C 0.8728(3) 0.2931(2) -0.40174(12) 0.0219(7) Uani 1 1 d . . .
H4A H 0.8846 0.3203 -0.3621 0.026 Uiso 1 1 calc R . .
C5 C 0.9998(3) 0.2171(2) -0.43949(13) 0.0226(7) Uani 1 1 d . . .
H5A H 1.0977 0.1958 -0.4261 0.027 Uiso 1 1 calc R . .
C6 C 0.8363(3) 0.2129(2) -0.51684(13) 0.0237(7) Uani 1 1 d . . .
H6A H 0.8214 0.1875 -0.5564 0.028 Uiso 1 1 calc R . .
C7 C 0.9831(3) 0.1720(2) -0.49741(12) 0.0178(6) Uani 1 1 d . . .
C8 C 1.2605(3) 0.0342(2) -0.51224(13) 0.0269(8) Uani 1 1 d . . .
H8A H 1.2713 0.0567 -0.4713 0.032 Uiso 1 1 calc R . .
C9 C 1.1191(3) 0.0837(2) -0.53686(12) 0.0192(7) Uani 1 1 d . . .
C10 C 1.1117(3) 0.0456(2) -0.59776(13) 0.0254(7) Uani 1 1 d . . .
H10A H 1.0187 0.0747 -0.6159 0.030 Uiso 1 1 calc R . .
C11 C 1.2423(3) -0.0360(2) -0.63215(13) 0.0272(8) Uani 1 1 d . . .
H11A H 1.2347 -0.0605 -0.6732 0.033 Uiso 1 1 calc R . .
C12 C 1.3837(3) -0.0476(2) -0.54808(13) 0.0260(7) Uani 1 1 d . . .
H12A H 1.4759 -0.0820 -0.5298 0.031 Uiso 1 1 calc R . .
C13 C 0.0572(2) 0.3633(2) -0.18673(11) 0.0152(6) Uani 1 1 d . . .
C14 C 0.0046(3) 0.4068(2) -0.11764(11) 0.0184(6) Uani 1 1 d . . .
H14A H 0.0897 0.4168 -0.0993 0.022 Uiso 1 1 calc R . .
H14B H -0.0792 0.4835 -0.1171 0.022 Uiso 1 1 calc R . .
C15 C 0.0088(3) 0.2871(2) -0.02050(12) 0.0234(7) Uani 1 1 d . . .
H15A H 0.0833 0.3131 -0.0079 0.028 Uiso 1 1 calc R . .
C16 C -0.1610(3) 0.2919(2) -0.09489(12) 0.0212(7) Uani 1 1 d . . .
H16A H -0.2036 0.3210 -0.1331 0.025 Uiso 1 1 calc R . .
C17 C -0.2133(3) 0.2160(2) -0.05679(13) 0.0215(7) Uani 1 1 d . . .
H17A H -0.2903 0.1937 -0.0700 0.026 Uiso 1 1 calc R . .
C18 C -0.0408(3) 0.2118(2) 0.01865(13) 0.0255(7) Uani 1 1 d . . .
H18A H 0.0009 0.1869 0.0575 0.031 Uiso 1 1 calc R . .
C19 C -0.1531(3) 0.1721(2) 0.00103(12) 0.0196(7) Uani 1 1 d . . .
C20 C -0.2064(3) 0.0883(2) 0.03998(12) 0.0206(7) Uani 1 1 d . . .
C21 C -0.2934(3) 0.0331(2) 0.01469(13) 0.0257(7) Uani 1 1 d . . .
H21A H -0.3208 0.0502 -0.0272 0.031 Uiso 1 1 calc R . .
C22 C -0.1724(3) 0.0585(2) 0.10363(13) 0.0280(7) Uani 1 1 d . . .
H22A H -0.1142 0.0926 0.1232 0.034 Uiso 1 1 calc R . .
C23 C -0.2260(3) -0.0224(2) 0.13754(13) 0.0282(7) Uani 1 1 d . . .
H23A H -0.2016 -0.0410 0.1797 0.034 Uiso 1 1 calc R . .
C24 C -0.3395(3) -0.0473(2) 0.05151(13) 0.0261(7) Uani 1 1 d . . .
H24A H -0.3944 -0.0851 0.0326 0.031 Uiso 1 1 calc R . .
O6W O 0.1363(3) -0.0419(3) -0.28733(14) 0.1128(14) Uani 1 1 d D . .
H6WA H 0.1691(10) 0.0063(6) -0.3101(6) 0.169 Uiso 1 1 d D . .
H6WB H 0.1199(11) -0.0846(6) -0.3148(4) 0.169 Uiso 1 1 d D . .
O7W O 0.7502(4) 0.2981(3) -0.66639(18) 0.194(2) Uani 1 1 d D . .
H7WA H 0.752(3) 0.2797(10) -0.7058(3) 0.291 Uiso 1 1 d D . .
H7WB H 0.738(2) 0.3713(5) -0.6684(10) 0.291 Uiso 1 1 d D . .
O8W O 0.7994(5) 0.4175(4) 0.2145(2) 0.236(3) Uani 1 1 d D . .
H8WA H 0.8510(11) 0.4286(10) 0.1796(4) 0.353 Uiso 1 1 d D . .
H8WB H 0.823(2) 0.3425(5) 0.2140(12) 0.353 Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.0195(18) . ?
Co1 N17 2.103(2) . ?
Co1 N7 2.150(2) . ?
Co1 N16 2.153(2) 2 ?
Co1 N2 2.162(2) . ?
Co1 N11 2.1992(19) . ?
Co2 O7 2.0238(18) . ?
Co2 N17 2.096(2) . ?
Co2 N6 2.1623(18) 2_754 ?
Co2 N12 2.1625(18) . ?
Co2 O3W 2.175(2) . ?
Co2 N1 2.200(2) . ?
Co3 O5 2.0100(18) 2_665 ?
Co3 O11 2.0137(18) 2_664 ?
Co3 N14 2.1522(18) 1_655 ?
Co3 O2W 2.1736(18) . ?
Co3 N4 2.176(2) . ?
Co3 O1W 2.220(2) . ?
V1 O3 1.5950(18) . ?
V1 O1 1.6632(19) . ?
V1 O2 1.765(2) . ?
V1 O4 1.8084(18) . ?
V2 O6 1.630(2) . ?
V2 O5 1.6627(16) . ?
V2 O2 1.768(2) 2_665 ?
V2 O4 1.802(2) . ?
V3 O9 1.609(2) . ?
V3 O7 1.6639(18) . ?
V3 O8 1.7581(18) . ?
V3 O10 1.812(2) . ?
V4 O12 1.628(2) . ?
V4 O11 1.6541(19) . ?
V4 O8 1.7621(18) 2_564 ?
V4 O10 1.8095(18) . ?
O2 V2 1.768(2) 2_665 ?
O5 Co3 2.0100(18) 2_665 ?
O8 V4 1.7621(18) 2_564 ?
O11 Co3 2.0137(18) 2_664 ?
N4 N3 1.343(3) . ?
N4 C1 1.352(3) . ?
N3 N2 1.308(3) . ?
N2 N1 1.346(3) . ?
N1 C1 1.327(3) . ?
N5 C3 1.331(3) . ?
N5 C4 1.340(3) . ?
N5 C2 1.499(3) . ?
N6 C11 1.333(3) . ?
N6 C12 1.341(3) . ?
N6 Co2 2.1623(18) 2_754 ?
N7 N8 1.209(4) . ?
N8 N9 1.181(5) . ?
N11 C13 1.337(3) . ?
N11 N12 1.345(3) . ?
N12 N13 1.297(3) . ?
N13 N14 1.350(3) . ?
N14 C13 1.339(3) . ?
N14 Co3 2.1522(18) 1_455 ?
N15 C16 1.331(4) . ?
N15 C15 1.341(3) . ?
N15 C14 1.489(3) . ?
N16 C23 1.324(4) . ?
N16 C24 1.342(3) . ?
N16 Co1 2.153(2) 2 ?
N17 N18 1.173(3) . ?
N18 N19 1.164(4) . ?
C1 C2 1.501(3) . ?
C3 C6 1.377(3) . ?
C4 C5 1.374(3) . ?
C5 C7 1.387(4) . ?
C6 C7 1.382(3) . ?
C7 C9 1.495(3) . ?
C8 C12 1.365(3) . ?
C8 C9 1.388(3) . ?
C9 C10 1.379(4) . ?
C10 C11 1.387(3) . ?
C13 C14 1.504(3) . ?
C15 C18 1.371(4) . ?
C16 C17 1.378(4) . ?
C17 C19 1.392(4) . ?
C18 C19 1.396(4) . ?
C19 C20 1.469(4) . ?
C20 C21 1.385(4) . ?
C20 C22 1.400(4) . ?
C21 C24 1.379(4) . ?
C22 C23 1.393(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
_geom_angle_publ_flag
O1 Co1 N17 176.71(9) . . ?
O1 Co1 N7 91.94(8) . . ?
N17 Co1 N7 86.93(8) . . ?
O1 Co1 N16 89.37(8) . 2 ?
N17 Co1 N16 93.66(9) . 2 ?
N7 Co1 N16 86.75(8) . 2 ?
O1 Co1 N2 95.13(8) . . ?
N17 Co1 N2 81.86(8) . . ?
N7 Co1 N2 93.85(8) . . ?
N16 Co1 N2 175.44(8) 2 . ?
O1 Co1 N11 96.95(7) . . ?
N17 Co1 N11 84.24(7) . . ?
N7 Co1 N11 171.07(8) . . ?
N16 Co1 N11 92.52(8) 2 . ?
N2 Co1 N11 86.18(8) . . ?
O7 Co2 N17 174.65(9) . . ?
O7 Co2 N6 90.97(7) . 2_754 ?
N17 Co2 N6 91.67(7) . 2_754 ?
O7 Co2 N12 94.62(7) . . ?
N17 Co2 N12 82.63(7) . . ?
N6 Co2 N12 174.19(8) 2_754 . ?
O7 Co2 O3W 90.73(8) . . ?
N17 Co2 O3W 84.79(8) . . ?
N6 Co2 O3W 86.46(8) 2_754 . ?
N12 Co2 O3W 91.83(8) . . ?
O7 Co2 N1 100.12(8) . . ?
N17 Co2 N1 84.37(8) . . ?
N6 Co2 N1 93.37(8) 2_754 . ?
N12 Co2 N1 87.26(8) . . ?
O3W Co2 N1 169.16(7) . . ?
O5 Co3 O11 168.11(7) 2_665 2_664 ?
O5 Co3 N14 93.94(7) 2_665 1_655 ?
O11 Co3 N14 94.48(7) 2_664 1_655 ?
O5 Co3 O2W 87.55(7) 2_665 . ?
O11 Co3 O2W 83.80(7) 2_664 . ?
N14 Co3 O2W 177.80(8) 1_655 . ?
O5 Co3 N4 93.34(8) 2_665 . ?
O11 Co3 N4 94.26(8) 2_664 . ?
N14 Co3 N4 95.12(8) 1_655 . ?
O2W Co3 N4 86.40(8) . . ?
O5 Co3 O1W 83.78(8) 2_665 . ?
O11 Co3 O1W 88.69(8) 2_664 . ?
N14 Co3 O1W 84.51(8) 1_655 . ?
O2W Co3 O1W 94.05(8) . . ?
N4 Co3 O1W 177.05(7) . . ?
O3 V1 O1 108.43(11) . . ?
O3 V1 O2 110.84(11) . . ?
O1 V1 O2 110.97(9) . . ?
O3 V1 O4 107.83(10) . . ?
O1 V1 O4 111.61(8) . . ?
O2 V1 O4 107.13(10) . . ?
O6 V2 O5 109.17(9) . . ?
O6 V2 O2 110.95(12) . 2_665 ?
O5 V2 O2 107.62(9) . 2_665 ?
O6 V2 O4 110.09(10) . . ?
O5 V2 O4 109.88(9) . . ?
O2 V2 O4 109.10(9) 2_665 . ?
O9 V3 O7 108.64(10) . . ?
O9 V3 O8 108.74(11) . . ?
O7 V3 O8 111.57(9) . . ?
O9 V3 O10 107.72(10) . . ?
O7 V3 O10 112.16(9) . . ?
O8 V3 O10 107.90(9) . . ?
O12 V4 O11 107.72(10) . . ?
O12 V4 O8 111.06(11) . 2_564 ?
O11 V4 O8 108.55(10) . 2_564 ?
O12 V4 O10 110.39(10) . . ?
O11 V4 O10 110.42(9) . . ?
O8 V4 O10 108.68(9) 2_564 . ?
V1 O1 Co1 164.51(12) . . ?
V1 O2 V2 160.57(12) . 2_665 ?
V2 O4 V1 122.58(10) . . ?
V2 O5 Co3 141.16(10) . 2_665 ?
V3 O7 Co2 167.02(10) . . ?
V3 O8 V4 171.57(17) . 2_564 ?
V4 O10 V3 128.25(10) . . ?
V4 O11 Co3 144.28(12) . 2_664 ?
N3 N4 C1 105.2(2) . . ?
N3 N4 Co3 117.92(16) . . ?
C1 N4 Co3 136.72(17) . . ?
N2 N3 N4 108.6(2) . . ?
N3 N2 N1 110.4(2) . . ?
N3 N2 Co1 127.18(16) . . ?
N1 N2 Co1 122.34(17) . . ?
C1 N1 N2 104.8(2) . . ?
C1 N1 Co2 138.41(16) . . ?
N2 N1 Co2 116.39(16) . . ?
C3 N5 C4 121.20(19) . . ?
C3 N5 C2 119.33(19) . . ?
C4 N5 C2 119.4(2) . . ?
C11 N6 C12 117.4(2) . . ?
C11 N6 Co2 124.26(17) . 2_754 ?
C12 N6 Co2 118.00(16) . 2_754 ?
N8 N7 Co1 118.5(2) . . ?
N9 N8 N7 176.3(5) . . ?
C13 N11 N12 104.23(18) . . ?
C13 N11 Co1 137.98(16) . . ?
N12 N11 Co1 117.75(12) . . ?
N13 N12 N11 111.16(17) . . ?
N13 N12 Co2 127.41(16) . . ?
N11 N12 Co2 120.82(14) . . ?
N12 N13 N14 108.11(19) . . ?
C13 N14 N13 105.72(17) . . ?
C13 N14 Co3 135.58(15) . 1_455 ?
N13 N14 Co3 117.79(14) . 1_455 ?
C16 N15 C15 121.4(2) . . ?
C16 N15 C14 119.5(2) . . ?
C15 N15 C14 119.0(2) . . ?
C23 N16 C24 116.5(2) . . ?
C23 N16 Co1 124.32(18) . 2 ?
C24 N16 Co1 119.0(2) . 2 ?
N18 N17 Co2 122.33(18) . . ?
N18 N17 Co1 124.64(18) . . ?
Co2 N17 Co1 112.77(9) . . ?
N19 N18 N17 178.2(4) . . ?
N1 C1 N4 110.9(2) . . ?
N1 C1 C2 125.4(2) . . ?
N4 C1 C2 123.6(2) . . ?
N5 C2 C1 110.73(18) . . ?
N5 C3 C6 120.0(2) . . ?
N5 C4 C5 120.2(2) . . ?
C4 C5 C7 120.5(2) . . ?
C3 C6 C7 120.9(2) . . ?
C6 C7 C5 117.0(2) . . ?
C6 C7 C9 122.0(2) . . ?
C5 C7 C9 120.9(2) . . ?
C12 C8 C9 120.1(3) . . ?
C10 C9 C8 116.7(2) . . ?
C10 C9 C7 123.0(2) . . ?
C8 C9 C7 120.3(2) . . ?
C9 C10 C11 120.3(2) . . ?
N6 C11 C10 122.3(2) . . ?
N6 C12 C8 123.2(2) . . ?
N11 C13 N14 110.78(19) . . ?
N11 C13 C14 124.5(2) . . ?
N14 C13 C14 124.65(18) . . ?
N15 C14 C13 112.0(2) . . ?
N15 C15 C18 120.3(3) . . ?
N15 C16 C17 119.8(2) . . ?
C16 C17 C19 121.4(3) . . ?
C15 C18 C19 120.9(2) . . ?
C17 C19 C18 116.2(2) . . ?
C17 C19 C20 120.7(3) . . ?
C18 C19 C20 123.1(2) . . ?
C21 C20 C22 116.1(3) . . ?
C21 C20 C19 120.9(2) . . ?
C22 C20 C19 123.0(3) . . ?
C24 C21 C20 120.1(2) . . ?
C23 C22 C20 119.8(3) . . ?
N16 C23 C22 123.5(3) . . ?
N16 C24 C21 123.9(3) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.095
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.134
