# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_CoUMOF
_database_code_depnum_ccdc_archive 'CCDC 2032794'
loop_
_audit_author_name
_audit_author_address
U
;East China University of Technology
China
;
_audit_update_record             
;
2020-09-19 deposited with the CCDC.	2020-12-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H28 Co3.67 N8 O26 U2'
_chemical_formula_weight         1632.76

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'
U U -9.6767 9.6646 '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'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   P31c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, z+1/2'
'-x, -x+y, z+1/2'
'x-y, -y, z+1/2'

_cell_length_a                   17.4311(2)
_cell_length_b                   17.4311(2)
_cell_length_c                   43.4638(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     11436.9(4)
_cell_formula_units_Z            6
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5700
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      17.68

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4602
_exptl_absorpt_coefficient_mu    5.073
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6309
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49103
_diffrn_reflns_av_R_equivalents  0.1007
_diffrn_reflns_av_sigmaI/netI    0.0887
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_theta_min         0.94
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11070
_reflns_number_gt                7578
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1067P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refu
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.477(10)
_refine_ls_number_reflns         11070
_refine_ls_number_parameters     646
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0639
_refine_ls_wR_factor_ref         0.1736
_refine_ls_wR_factor_gt          0.1620
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.3890(12) 0.2534(13) 0.3281(4) 0.062(5) Uani 1 1 d . . .
C2 C 0.3407(11) 0.2720(13) 0.3500(4) 0.057(5) Uani 1 1 d . . .
C3 C 0.2831(12) -0.0491(15) 0.4199(4) 0.069(6) Uani 1 1 d . . .
C4 C 0.2944(14) 0.0015(18) 0.3746(3) 0.075(6) Uani 1 1 d D . .
C5 C 0.2744(15) 0.0020(15) 0.3405(3) 0.091(8) Uani 1 1 d D . .
H5A H 0.3221 0.0569 0.3322 0.109 Uiso 1 1 calc R . .
H5B H 0.2800 -0.0455 0.3312 0.109 Uiso 1 1 calc R . .
C6 C -0.0166(10) -0.2943(11) 0.3966(3) 0.056(4) Uani 1 1 d D . .
C7 C 0.0307(11) -0.2901(9) 0.3472(4) 0.041(4) Uani 1 1 d . . .
C8 C 0.4854(14) 0.2725(13) 0.2260(3) 0.057(5) Uani 1 1 d . . .
C9 C 0.4921(13) 0.3205(12) 0.1950(4) 0.058(5) Uani 1 1 d . . .
C10 C 0.4300(13) 0.3202(12) 0.1756(4) 0.064(5) Uani 1 1 d . . .
C11 C 0.5628(11) 0.3934(11) 0.1537(5) 0.068(6) Uani 1 1 d D . .
C12 C 0.6328(13) 0.4505(13) 0.1303(4) 0.080(6) Uani 1 1 d D . .
H12A H 0.6091 0.4314 0.1098 0.097 Uiso 1 1 calc R . .
H12B H 0.6835 0.4421 0.1326 0.097 Uiso 1 1 calc R . .
C13 C 0.3429(14) 0.2970(13) 0.1781(4) 0.067(5) Uani 1 1 d . . .
C14 C 0.4461(15) 0.5080(13) 0.0769(4) 0.071(6) Uani 1 1 d . . .
C15 C 0.4932(13) 0.4657(12) 0.0655(5) 0.069(5) Uani 1 1 d . . .
C16 C 0.4374(12) 0.5772(13) 0.0670(3) 0.059(5) Uani 1 1 d . . .
C17 C 0.3567(14) 0.5203(14) 0.1095(4) 0.076(6) Uani 1 1 d D . .
C18 C 0.2895(19) 0.4975(17) 0.1349(5) 0.117(10) Uani 1 1 d D . .
H18A H 0.3159 0.4963 0.1545 0.140 Uiso 1 1 calc R . .
H18B H 0.2729 0.5428 0.1361 0.140 Uiso 1 1 calc R . .
C19 C 0.3713(11) 0.1004(13) 0.4470(4) 0.056(5) Uani 1 1 d . . .
C20 C 0.3330(10) 0.0368(11) 0.4201(4) 0.046(4) Uani 1 1 d . . .
C21 C 0.663(3) 0.5481(16) 0.1338(9) 0.166(14) Uani 1 1 d DU . .
H21A H 0.6154 0.5606 0.1303 0.199 Uiso 1 1 calc R . .
H21B H 0.6901 0.5712 0.1537 0.199 Uiso 1 1 calc R . .
C22 C 0.730(5) 0.582(6) 0.1080(16) 0.44(5) Uani 1 1 d DU . .
H22A H 0.7867 0.6066 0.1179 0.658 Uiso 1 1 d R . .
H22B H 0.7297 0.6242 0.0941 0.658 Uiso 1 1 d R . .
H22C H 0.7189 0.5297 0.0968 0.658 Uiso 1 1 d R . .
C23 C -0.0130(14) -0.2675(15) 0.4298(4) 0.081(6) Uani 1 1 d D . .
H23A H 0.0318 -0.2752 0.4403 0.097 Uiso 1 1 calc R . .
H23B H -0.0696 -0.3070 0.4393 0.097 Uiso 1 1 calc R . .
C24 C 0.008(2) -0.1728(16) 0.4341(6) 0.171(16) Uani 1 1 d D . .
H24A H 0.0711 -0.1348 0.4317 0.206 Uiso 1 1 calc R . .
H24B H -0.0203 -0.1592 0.4174 0.206 Uiso 1 1 calc R . .
C25 C 0.0899(13) -0.2682(14) 0.3241(5) 0.067(5) Uani 1 1 d . . .
C26 C 0.189(2) -0.006(3) 0.3283(11) 0.201(18) Uani 1 1 d DU . .
H26A H 0.2039 0.0449 0.3157 0.241 Uiso 1 1 calc R . .
H26B H 0.1610 -0.0582 0.3151 0.241 Uiso 1 1 calc R . .
C27 C 0.2494(16) -0.1227(13) 0.4422(5) 0.087(7) Uani 1 1 d . . .
C28 C 0.208(3) 0.409(3) 0.1294(17) 0.31(3) Uani 1 1 d DU . .
H28A H 0.1958 0.4098 0.1076 0.377 Uiso 1 1 calc R . .
H28B H 0.1614 0.4129 0.1401 0.377 Uiso 1 1 calc R . .
C29 C 0.1683(16) 0.5291(15) 0.0424(4) 0.074(6) Uani 1 1 d . . .
C30 C 0.126(4) -0.014(4) 0.3522(14) 0.33(4) Uani 1 1 d DU . .
H30A H 0.1278 0.0418 0.3515 0.499 Uiso 1 1 d R . .
H30B H 0.1397 -0.0244 0.3726 0.499 Uiso 1 1 d R . .
H30C H 0.0672 -0.0606 0.3468 0.499 Uiso 1 1 d R . .
C31 C -0.018(3) -0.146(4) 0.4636(10) 0.30(3) Uani 1 1 d DU . .
H31A H -0.0597 -0.1984 0.4745 0.451 Uiso 1 1 d R . .
H31B H -0.0450 -0.1110 0.4589 0.451 Uiso 1 1 d R . .
H31C H 0.0334 -0.1122 0.4762 0.451 Uiso 1 1 d R . .
C32 C 0.185(17) 0.314(7) 0.135(6) 1.16(19) Uani 1 1 d DU . .
H32A H 0.2392 0.3296 0.1240 1.736 Uiso 1 1 d R . .
H32B H 0.1382 0.2594 0.1268 1.736 Uiso 1 1 d R . .
H32C H 0.1931 0.3066 0.1564 1.736 Uiso 1 1 d R . .
Co1 Co 0.39210(16) 0.36192(15) 0.11773(5) 0.0519(6) Uani 1 1 d . . .
Co2 Co 0.6667 0.3333 0.20163(8) 0.0382(8) Uani 1 3 d S . .
Co3 Co 0.43067(13) 0.20557(13) 0.38790(5) 0.0400(5) Uani 1 1 d . . .
Co4 Co 0.3333 0.6667 0.07222(7) 0.0358(8) Uani 1 3 d S . .
Co5 Co 0.18536(15) -0.20456(15) 0.38221(5) 0.0563(6) Uani 1 1 d . . .
N1 N 0.3428(8) 0.0731(8) 0.3923(3) 0.042(3) Uani 1 1 d . . .
N2 N 0.2568(10) -0.0735(10) 0.3896(4) 0.063(4) Uani 1 1 d . . .
N3 N 0.4744(10) 0.3698(10) 0.1512(3) 0.059(4) Uani 1 1 d . . .
N4 N 0.5721(8) 0.3588(9) 0.1819(3) 0.049(3) Uani 1 1 d . . .
N5 N 0.3920(10) 0.4664(11) 0.1026(4) 0.071(5) Uani 1 1 d . . .
N6 N 0.3770(9) 0.5840(9) 0.0883(3) 0.057(4) Uani 1 1 d . . .
N7 N 0.0560(8) -0.2612(8) 0.3793(3) 0.047(3) Uani 1 1 d . . .
N8 N 0.3408(9) 0.2487(9) 0.3798(3) 0.050(4) Uani 1 1 d . . .
O1 O 0.2924(9) 0.2614(10) 0.2034(3) 0.081(4) Uani 1 1 d . . .
O2 O 0.3025(10) 0.3085(11) 0.1551(3) 0.087(4) Uani 1 1 d . . .
O3 O 0.4120(8) 0.2357(9) 0.2397(2) 0.067(4) Uani 1 1 d . . .
O4 O 0.5535(8) 0.2729(8) 0.2335(2) 0.061(3) Uani 1 1 d . . .
O5 O 0.4828(10) 0.3972(10) 0.0793(3) 0.083(4) Uani 1 1 d . . .
O6 O 0.5381(14) 0.4906(11) 0.0398(5) 0.135(8) Uani 1 1 d . . .
O7 O 0.3921(9) 0.2764(11) 0.2994(3) 0.083(4) Uani 1 1 d . . .
O8 O 0.4323(8) 0.2168(8) 0.3370(3) 0.067(3) Uani 1 1 d . . .
O9 O 0.4161(9) 0.1827(8) 0.4383(3) 0.069(4) Uani 1 1 d . . .
O10 O 0.3637(10) 0.0774(9) 0.4742(3) 0.078(4) Uani 1 1 d . . .
O11 O 0.2363(10) 0.1840(10) 0.2622(4) 0.099(5) Uani 1 1 d . . .
O12 O 0.2644(9) -0.1138(8) 0.4707(3) 0.084(5) Uani 1 1 d . . .
O13 O 0.4703(11) 0.1096(9) 0.5247(3) 0.087(5) Uani 1 1 d . . .
O14 O 0.3280(12) -0.1848(11) 0.5089(4) 0.114(6) Uani 1 1 d . . .
O15 O 0.1989(10) -0.2044(10) 0.4328(4) 0.109(6) Uani 1 1 d . . .
O16 O 0.4561(10) -0.0172(10) 0.4803(5) 0.121(7) Uani 1 1 d . . .
O17 O 0.2928(18) -0.0305(18) 0.5280(6) 0.171(10) Uani 1 1 d . . .
O18 O 0.3109(13) 0.2531(11) 0.0945(3) 0.119(6) Uani 1 1 d . . .
O19 O 0.4100(9) 0.3972(10) 0.2487(3) 0.083(4) Uani 1 1 d . . .
O20 O 0.2127(12) 0.3335(13) 0.2385(4) 0.119(6) Uani 1 1 d . . .
O21 O 0.1696(9) -0.2220(9) 0.3318(3) 0.084(4) Uani 1 1 d . . .
O22 O 0.0670(7) -0.2832(10) 0.2966(3) 0.095(6) Uani 1 1 d . . .
O23 O 0.2602(15) -0.2616(16) 0.3791(7) 0.197(13) Uani 1 1 d . . .
O24 O 0.2492(9) 0.5593(9) 0.0384(3) 0.067(3) Uani 1 1 d . . .
O25 O 0.5286(14) 0.175(2) 0.3843(5) 0.186(13) Uani 1 1 d . . .
O26 O 0.552(2) 0.3635(19) 0.3915(5) 0.204(14) Uani 1 1 d . . .
U1 U 0.32137(5) 0.29036(5) 0.256353(16) 0.0616(2) Uani 1 1 d . . .
U2 U 0.37740(6) -0.02548(5) 0.504169(15) 0.0687(3) Uani 1 1 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
C1 O8 1.269(19) . ?
C1 O7 1.30(2) . ?
C1 C2 1.41(3) . ?
C2 N8 1.36(2) . ?
C2 C7 1.50(3) 2 ?
C3 C20 1.30(2) . ?
C3 N2 1.39(2) . ?
C3 C27 1.47(3) . ?
C4 N2 1.31(3) . ?
C4 N1 1.34(3) . ?
C4 C5 1.522(9) . ?
C5 C26 1.509(10) . ?
C6 N7 1.33(2) . ?
C6 N8 1.36(2) 3 ?
C6 C23 1.508(10) . ?
C7 C25 1.35(3) . ?
C7 N7 1.475(19) . ?
C7 C2 1.50(3) 3 ?
C8 O4 1.23(2) . ?
C8 O3 1.26(2) . ?
C8 C9 1.56(2) . ?
C9 N4 1.34(2) . ?
C9 C10 1.37(3) . ?
C10 N3 1.34(2) . ?
C10 C13 1.37(3) . ?
C11 N3 1.39(2) . ?
C11 N4 1.41(2) . ?
C11 C12 1.516(9) . ?
C12 C21 1.516(10) . ?
C13 O2 1.29(2) . ?
C13 O1 1.35(2) . ?
C14 C16 1.36(2) . ?
C14 N5 1.41(2) . ?
C14 C15 1.44(3) . ?
C15 O5 1.27(2) . ?
C15 O6 1.30(2) . ?
C16 C29 1.42(3) 2_665 ?
C16 N6 1.45(2) . ?
C17 N6 1.35(2) . ?
C17 N5 1.39(2) . ?
C17 C18 1.513(10) . ?
C18 C28 1.510(10) . ?
C19 O10 1.23(2) . ?
C19 O9 1.30(2) . ?
C19 C20 1.52(2) . ?
C20 N1 1.34(2) . ?
C21 C22 1.510(10) . ?
C23 C24 1.516(10) . ?
C24 C31 1.507(10) . ?
C25 O22 1.25(2) . ?
C25 O21 1.25(2) . ?
C26 C30 1.478(10) . ?
C27 O12 1.26(2) . ?
C27 O15 1.31(2) . ?
C28 C32 1.513(10) . ?
C29 O24 1.25(2) . ?
C29 O13 1.28(2) 4_554 ?
C29 C16 1.42(3) 3_565 ?
Co1 N5 1.937(16) . ?
Co1 O18 1.984(16) . ?
Co1 N3 1.999(15) . ?
Co1 O2 2.120(14) . ?
Co1 O5 2.165(12) . ?
Co2 N4 2.092(13) 2_655 ?
Co2 N4 2.092(14) 3_665 ?
Co2 N4 2.092(13) . ?
Co2 O4 2.200(12) 2_655 ?
Co2 O4 2.200(12) 3_665 ?
Co2 O4 2.200(12) . ?
Co3 O25 2.03(2) . ?
Co3 N1 2.044(12) . ?
Co3 N8 2.078(13) . ?
Co3 O9 2.219(12) . ?
Co3 O8 2.221(12) . ?
Co3 O26 2.50(3) . ?
Co4 N6 2.061(14) 3_565 ?
Co4 N6 2.061(14) 2_665 ?
Co4 N6 2.061(14) . ?
Co4 O24 2.252(13) 3_565 ?
Co4 O24 2.252(13) . ?
Co4 O24 2.252(13) 2_665 ?
Co5 N7 1.963(13) . ?
Co5 O23 2.001(19) . ?
Co5 N2 2.007(15) . ?
Co5 O15 2.210(16) . ?
Co5 O21 2.210(14) . ?
N8 C6 1.36(2) 2 ?
O1 U1 2.355(14) . ?
O3 U1 2.331(12) . ?
O6 U2 2.299(15) 5_664 ?
O7 U1 2.319(13) . ?
O10 U2 2.323(13) . ?
O11 U1 1.718(14) . ?
O12 U2 2.308(12) . ?
O13 C29 1.28(2) 4 ?
O13 U2 2.269(14) . ?
O14 U2 2.470(18) . ?
O16 U2 1.668(18) . ?
O17 U2 1.77(3) . ?
O19 U1 1.757(13) . ?
O20 U1 2.486(15) . ?
O22 U1 2.299(14) 3 ?
O25 O26 1.81(4) 2_655 ?
O26 O25 1.81(4) 3_665 ?
U1 O22 2.299(14) 2 ?
U2 O6 2.299(15) 5_655 ?

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
O8 C1 O7 120.1(16) . . ?
O8 C1 C2 119.0(17) . . ?
O7 C1 C2 120.9(15) . . ?
N8 C2 C1 118.9(17) . . ?
N8 C2 C7 109.5(15) . 2 ?
C1 C2 C7 131.4(15) . 2 ?
C20 C3 N2 106.8(16) . . ?
C20 C3 C27 137.9(18) . . ?
N2 C3 C27 115.3(18) . . ?
N2 C4 N1 114.2(13) . . ?
N2 C4 C5 119(2) . . ?
N1 C4 C5 126(2) . . ?
C26 C5 C4 124(3) . . ?
N7 C6 N8 112.5(13) . 3 ?
N7 C6 C23 121.5(15) . . ?
N8 C6 C23 125.0(14) 3 . ?
C25 C7 N7 123.4(15) . . ?
C25 C7 C2 135.9(15) . 3 ?
N7 C7 C2 100.6(13) . 3 ?
O4 C8 O3 127.6(14) . . ?
O4 C8 C9 114.4(15) . . ?
O3 C8 C9 117.9(16) . . ?
N4 C9 C10 111.5(13) . . ?
N4 C9 C8 114.5(16) . . ?
C10 C9 C8 133.0(16) . . ?
N3 C10 C9 106.4(16) . . ?
N3 C10 C13 116.8(16) . . ?
C9 C10 C13 135.4(16) . . ?
N3 C11 N4 106.9(11) . . ?
N3 C11 C12 123.5(18) . . ?
N4 C11 C12 129.5(17) . . ?
C11 C12 C21 113(2) . . ?
O2 C13 O1 114.8(18) . . ?
O2 C13 C10 120.3(18) . . ?
O1 C13 C10 124.9(17) . . ?
C16 C14 N5 111.5(17) . . ?
C16 C14 C15 133.8(17) . . ?
N5 C14 C15 114.6(14) . . ?
O5 C15 O6 120.0(16) . . ?
O5 C15 C14 118.0(15) . . ?
O6 C15 C14 121.5(16) . . ?
C14 C16 C29 136.7(17) . 2_665 ?
C14 C16 N6 106.1(16) . . ?
C29 C16 N6 117.2(16) 2_665 . ?
N6 C17 N5 112.9(14) . . ?
N6 C17 C18 124.5(15) . . ?
N5 C17 C18 121.8(17) . . ?
C28 C18 C17 111(3) . . ?
O10 C19 O9 123.0(15) . . ?
O10 C19 C20 124.3(17) . . ?
O9 C19 C20 112.7(16) . . ?
C3 C20 N1 113.1(16) . . ?
C3 C20 C19 130.1(16) . . ?
N1 C20 C19 116.5(15) . . ?
C22 C21 C12 97(4) . . ?
C6 C23 C24 114.1(17) . . ?
C31 C24 C23 120(3) . . ?
O22 C25 O21 121.8(18) . . ?
O22 C25 C7 122.2(17) . . ?
O21 C25 C7 115.4(19) . . ?
C30 C26 C5 115(4) . . ?
O12 C27 O15 115.1(17) . . ?
O12 C27 C3 124.8(18) . . ?
O15 C27 C3 120.1(19) . . ?
C18 C28 C32 134(10) . . ?
O24 C29 O13 122.6(19) . 4_554 ?
O24 C29 C16 119.0(18) . 3_565 ?
O13 C29 C16 118.4(19) 4_554 3_565 ?
N5 Co1 O18 113.0(7) . . ?
N5 Co1 N3 121.4(6) . . ?
O18 Co1 N3 125.5(7) . . ?
N5 Co1 O2 109.0(7) . . ?
O18 Co1 O2 87.4(7) . . ?
N3 Co1 O2 79.5(6) . . ?
N5 Co1 O5 79.4(6) . . ?
O18 Co1 O5 87.2(7) . . ?
N3 Co1 O5 98.3(6) . . ?
O2 Co1 O5 171.3(6) . . ?
N4 Co2 N4 104.4(4) 2_655 3_665 ?
N4 Co2 N4 104.4(4) 2_655 . ?
N4 Co2 N4 104.4(4) 3_665 . ?
N4 Co2 O4 75.3(4) 2_655 2_655 ?
N4 Co2 O4 95.0(5) 3_665 2_655 ?
N4 Co2 O4 159.8(5) . 2_655 ?
N4 Co2 O4 159.8(5) 2_655 3_665 ?
N4 Co2 O4 75.3(4) 3_665 3_665 ?
N4 Co2 O4 95.0(5) . 3_665 ?
O4 Co2 O4 84.6(4) 2_655 3_665 ?
N4 Co2 O4 95.0(5) 2_655 . ?
N4 Co2 O4 159.8(5) 3_665 . ?
N4 Co2 O4 75.3(4) . . ?
O4 Co2 O4 84.6(4) 2_655 . ?
O4 Co2 O4 84.6(4) 3_665 . ?
O25 Co3 N1 88.1(9) . . ?
O25 Co3 N8 164.8(7) . . ?
N1 Co3 N8 98.6(5) . . ?
O25 Co3 O9 93.8(7) . . ?
N1 Co3 O9 75.6(5) . . ?
N8 Co3 O9 101.1(5) . . ?
O25 Co3 O8 88.3(7) . . ?
N1 Co3 O8 99.3(5) . . ?
N8 Co3 O8 77.2(5) . . ?
O9 Co3 O8 174.4(5) . . ?
O25 Co3 O26 86.2(10) . . ?
N1 Co3 O26 168.9(5) . . ?
N8 Co3 O26 89.3(7) . . ?
O9 Co3 O26 95.4(6) . . ?
O8 Co3 O26 89.9(6) . . ?
N6 Co4 N6 109.1(4) 3_565 2_665 ?
N6 Co4 N6 109.1(4) 3_565 . ?
N6 Co4 N6 109.1(4) 2_665 . ?
N6 Co4 O24 87.5(5) 3_565 3_565 ?
N6 Co4 O24 77.5(5) 2_665 3_565 ?
N6 Co4 O24 158.0(5) . 3_565 ?
N6 Co4 O24 77.5(5) 3_565 . ?
N6 Co4 O24 158.0(5) 2_665 . ?
N6 Co4 O24 87.5(5) . . ?
O24 Co4 O24 82.0(5) 3_565 . ?
N6 Co4 O24 158.0(5) 3_565 2_665 ?
N6 Co4 O24 87.5(5) 2_665 2_665 ?
N6 Co4 O24 77.5(5) . 2_665 ?
O24 Co4 O24 82.0(5) 3_565 2_665 ?
O24 Co4 O24 82.0(5) . 2_665 ?
N7 Co5 O23 128.1(8) . . ?
N7 Co5 N2 119.1(6) . . ?
O23 Co5 N2 112.9(8) . . ?
N7 Co5 O15 99.2(6) . . ?
O23 Co5 O15 88.4(10) . . ?
N2 Co5 O15 80.4(6) . . ?
N7 Co5 O21 80.5(5) . . ?
O23 Co5 O21 86.1(9) . . ?
N2 Co5 O21 106.3(6) . . ?
O15 Co5 O21 172.6(6) . . ?
C20 N1 C4 101.9(14) . . ?
C20 N1 Co3 117.8(10) . . ?
C4 N1 Co3 139.7(12) . . ?
C4 N2 C3 104.1(16) . . ?
C4 N2 Co5 140.7(14) . . ?
C3 N2 Co5 115.0(13) . . ?
C10 N3 C11 109.1(14) . . ?
C10 N3 Co1 111.5(13) . . ?
C11 N3 Co1 137.0(12) . . ?
C9 N4 C11 105.5(13) . . ?
C9 N4 Co2 117.2(10) . . ?
C11 N4 Co2 135.9(10) . . ?
C17 N5 C14 103.4(14) . . ?
C17 N5 Co1 140.5(13) . . ?
C14 N5 Co1 116.0(13) . . ?
C17 N6 C16 105.7(14) . . ?
C17 N6 Co4 140.6(12) . . ?
C16 N6 Co4 112.1(10) . . ?
C6 N7 C7 109.2(12) . . ?
C6 N7 Co5 141.9(11) . . ?
C7 N7 Co5 107.8(10) . . ?
C2 N8 C6 108.0(13) . 2 ?
C2 N8 Co3 112.5(12) . . ?
C6 N8 Co3 137.8(10) 2 . ?
C13 O1 U1 132.6(13) . . ?
C13 O2 Co1 108.7(13) . . ?
C8 O3 U1 131.5(12) . . ?
C8 O4 Co2 117.9(9) . . ?
C15 O5 Co1 112.0(11) . . ?
C15 O6 U2 151.7(14) . 5_664 ?
C1 O7 U1 149.5(11) . . ?
C1 O8 Co3 111.3(11) . . ?
C19 O9 Co3 115.9(11) . . ?
C19 O10 U2 138.8(13) . . ?
C27 O12 U2 139.2(13) . . ?
C29 O13 U2 159.5(13) 4 . ?
C27 O15 Co5 108.9(12) . . ?
C25 O21 Co5 112.0(13) . . ?
C25 O22 U1 154.8(12) . 3 ?
C29 O24 Co4 112.9(12) . . ?
O26 O25 Co3 156(2) 2_655 . ?
O25 O26 Co3 164.9(15) 3_665 . ?
O11 U1 O19 177.1(8) . . ?
O11 U1 O22 95.0(7) . 2 ?
O19 U1 O22 87.9(7) . 2 ?
O11 U1 O7 89.1(7) . . ?
O19 U1 O7 91.8(6) . . ?
O22 U1 O7 73.9(4) 2 . ?
O11 U1 O3 90.0(6) . . ?
O19 U1 O3 87.6(6) . . ?
O22 U1 O3 146.2(4) 2 . ?
O7 U1 O3 72.7(4) . . ?
O11 U1 O1 86.4(6) . . ?
O19 U1 O1 91.4(6) . . ?
O22 U1 O1 139.6(4) 2 . ?
O7 U1 O1 146.4(4) . . ?
O3 U1 O1 74.1(4) . . ?
O11 U1 O20 89.8(7) . . ?
O19 U1 O20 91.2(7) . . ?
O22 U1 O20 70.3(5) 2 . ?
O7 U1 O20 144.0(5) . . ?
O3 U1 O20 143.3(5) . . ?
O1 U1 O20 69.3(5) . . ?
O16 U2 O17 176.7(11) . . ?
O16 U2 O13 91.5(7) . . ?
O17 U2 O13 88.1(9) . . ?
O16 U2 O6 82.3(10) . 5_655 ?
O17 U2 O6 100.7(10) . 5_655 ?
O13 U2 O6 73.9(5) . 5_655 ?
O16 U2 O12 93.2(7) . . ?
O17 U2 O12 85.6(9) . . ?
O13 U2 O12 150.2(4) . . ?
O6 U2 O12 135.8(5) 5_655 . ?
O16 U2 O10 88.9(8) . . ?
O17 U2 O10 87.8(10) . . ?
O13 U2 O10 73.5(4) . . ?
O6 U2 O10 145.9(5) 5_655 . ?
O12 U2 O10 77.2(5) . . ?
O16 U2 O14 87.6(7) . . ?
O17 U2 O14 94.7(10) . . ?
O13 U2 O14 143.1(4) . . ?
O6 U2 O14 69.4(5) 5_655 . ?
O12 U2 O14 66.5(5) . . ?
O10 U2 O14 143.3(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 C1 C2 N8 -1(3) . . . . ?
O7 C1 C2 N8 -178.5(18) . . . . ?
O8 C1 C2 C7 174.3(17) . . . 2 ?
O7 C1 C2 C7 -3(3) . . . 2 ?
N2 C4 C5 C26 76(4) . . . . ?
N1 C4 C5 C26 -98(3) . . . . ?
O4 C8 C9 N4 -3(2) . . . . ?
O3 C8 C9 N4 179.4(16) . . . . ?
O4 C8 C9 C10 164(2) . . . . ?
O3 C8 C9 C10 -13(3) . . . . ?
N4 C9 C10 N3 -8(2) . . . . ?
C8 C9 C10 N3 -175.9(18) . . . . ?
N4 C9 C10 C13 -174(2) . . . . ?
C8 C9 C10 C13 19(4) . . . . ?
N3 C11 C12 C21 78(3) . . . . ?
N4 C11 C12 C21 -98(3) . . . . ?
N3 C10 C13 O2 12(3) . . . . ?
C9 C10 C13 O2 177(2) . . . . ?
N3 C10 C13 O1 -167.6(19) . . . . ?
C9 C10 C13 O1 -3(4) . . . . ?
C16 C14 C15 O5 -175(2) . . . . ?
N5 C14 C15 O5 -1(3) . . . . ?
C16 C14 C15 O6 -2(4) . . . . ?
N5 C14 C15 O6 172(2) . . . . ?
N5 C14 C16 C29 -177(2) . . . 2_665 ?
C15 C14 C16 C29 -2(5) . . . 2_665 ?
N5 C14 C16 N6 3(2) . . . . ?
C15 C14 C16 N6 178(2) . . . . ?
N6 C17 C18 C28 110(4) . . . . ?
N5 C17 C18 C28 -59(4) . . . . ?
N2 C3 C20 N1 0(2) . . . . ?
C27 C3 C20 N1 -180(3) . . . . ?
N2 C3 C20 C19 172.0(16) . . . . ?
C27 C3 C20 C19 -8(4) . . . . ?
O10 C19 C20 C3 4(3) . . . . ?
O9 C19 C20 C3 -177.9(19) . . . . ?
O10 C19 C20 N1 176.1(17) . . . . ?
O9 C19 C20 N1 -6(2) . . . . ?
C11 C12 C21 C22 179(4) . . . . ?
N7 C6 C23 C24 70(3) . . . . ?
N8 C6 C23 C24 -99(3) 3 . . . ?
C6 C23 C24 C31 158(4) . . . . ?
N7 C7 C25 O22 -170.3(18) . . . . ?
C2 C7 C25 O22 7(3) 3 . . . ?
N7 C7 C25 O21 1(3) . . . . ?
C2 C7 C25 O21 178.5(18) 3 . . . ?
C4 C5 C26 C30 1(6) . . . . ?
C20 C3 C27 O12 1(5) . . . . ?
N2 C3 C27 O12 -178(2) . . . . ?
C20 C3 C27 O15 -179(2) . . . . ?
N2 C3 C27 O15 1(3) . . . . ?
C17 C18 C28 C32 81(18) . . . . ?
C3 C20 N1 C4 0(2) . . . . ?
C19 C20 N1 C4 -173.3(14) . . . . ?
C3 C20 N1 Co3 -173.0(13) . . . . ?
C19 C20 N1 Co3 13.8(18) . . . . ?
N2 C4 N1 C20 0(2) . . . . ?
C5 C4 N1 C20 174.6(19) . . . . ?
N2 C4 N1 Co3 170.5(13) . . . . ?
C5 C4 N1 Co3 -15(3) . . . . ?
O25 Co3 N1 C20 82.8(13) . . . . ?
N8 Co3 N1 C20 -111.0(12) . . . . ?
O9 Co3 N1 C20 -11.7(11) . . . . ?
O8 Co3 N1 C20 170.7(12) . . . . ?
O26 Co3 N1 C20 24(5) . . . . ?
O25 Co3 N1 C4 -86.4(19) . . . . ?
N8 Co3 N1 C4 79.8(18) . . . . ?
O9 Co3 N1 C4 179.2(19) . . . . ?
O8 Co3 N1 C4 1.5(18) . . . . ?
O26 Co3 N1 C4 -145(4) . . . . ?
N1 C4 N2 C3 0(2) . . . . ?
C5 C4 N2 C3 -175.0(18) . . . . ?
N1 C4 N2 Co5 -174.2(14) . . . . ?
C5 C4 N2 Co5 11(3) . . . . ?
C20 C3 N2 C4 0(2) . . . . ?
C27 C3 N2 C4 -179.9(19) . . . . ?
C20 C3 N2 Co5 175.9(13) . . . . ?
C27 C3 N2 Co5 -4(2) . . . . ?
N7 Co5 N2 C4 -87(2) . . . . ?
O23 Co5 N2 C4 94(2) . . . . ?
O15 Co5 N2 C4 178(2) . . . . ?
O21 Co5 N2 C4 1(2) . . . . ?
N7 Co5 N2 C3 99.5(14) . . . . ?
O23 Co5 N2 C3 -79.9(16) . . . . ?
O15 Co5 N2 C3 4.2(14) . . . . ?
O21 Co5 N2 C3 -172.5(13) . . . . ?
C9 C10 N3 C11 6(2) . . . . ?
C13 C10 N3 C11 174.9(18) . . . . ?
C9 C10 N3 Co1 171.7(13) . . . . ?
C13 C10 N3 Co1 -20(2) . . . . ?
N4 C11 N3 C10 -2(2) . . . . ?
C12 C11 N3 C10 -179.2(19) . . . . ?
N4 C11 N3 Co1 -162.5(13) . . . . ?
C12 C11 N3 Co1 21(3) . . . . ?
N5 Co1 N3 C10 121.1(13) . . . . ?
O18 Co1 N3 C10 -63.9(15) . . . . ?
O2 Co1 N3 C10 15.1(13) . . . . ?
O5 Co1 N3 C10 -156.3(13) . . . . ?
N5 Co1 N3 C11 -79.2(19) . . . . ?
O18 Co1 N3 C11 95.8(19) . . . . ?
O2 Co1 N3 C11 174.8(18) . . . . ?
O5 Co1 N3 C11 3.4(18) . . . . ?
C10 C9 N4 C11 6(2) . . . . ?
C8 C9 N4 C11 176.7(15) . . . . ?
C10 C9 N4 Co2 -162.3(13) . . . . ?
C8 C9 N4 Co2 8(2) . . . . ?
N3 C11 N4 C9 -2(2) . . . . ?
C12 C11 N4 C9 174(2) . . . . ?
N3 C11 N4 Co2 163.1(12) . . . . ?
C12 C11 N4 Co2 -20(3) . . . . ?
N4 Co2 N4 C9 84.4(16) 2_655 . . . ?
N4 Co2 N4 C9 -166.3(12) 3_665 . . . ?
O4 Co2 N4 C9 -2(2) 2_655 . . . ?
O4 Co2 N4 C9 -90.2(13) 3_665 . . . ?
O4 Co2 N4 C9 -7.2(13) . . . . ?
N4 Co2 N4 C11 -79.9(15) 2_655 . . . ?
N4 Co2 N4 C11 29.4(18) 3_665 . . . ?
O4 Co2 N4 C11 -166.4(15) 2_655 . . . ?
O4 Co2 N4 C11 105.6(17) 3_665 . . . ?
O4 Co2 N4 C11 -171.4(18) . . . . ?
N6 C17 N5 C14 7(2) . . . . ?
C18 C17 N5 C14 177(2) . . . . ?
N6 C17 N5 Co1 -176.1(14) . . . . ?
C18 C17 N5 Co1 -6(4) . . . . ?
C16 C14 N5 C17 -6(2) . . . . ?
C15 C14 N5 C17 178.4(19) . . . . ?
C16 C14 N5 Co1 176.4(14) . . . . ?
C15 C14 N5 Co1 0(2) . . . . ?
O18 Co1 N5 C17 101(2) . . . . ?
N3 Co1 N5 C17 -84(2) . . . . ?
O2 Co1 N5 C17 5(2) . . . . ?
O5 Co1 N5 C17 -177(2) . . . . ?
O18 Co1 N5 C14 -82.5(15) . . . . ?
N3 Co1 N5 C14 93.0(15) . . . . ?
O2 Co1 N5 C14 -177.8(13) . . . . ?
O5 Co1 N5 C14 -0.2(14) . . . . ?
N5 C17 N6 C16 -5(2) . . . . ?
C18 C17 N6 C16 -175(2) . . . . ?
N5 C17 N6 Co4 158.3(15) . . . . ?
C18 C17 N6 Co4 -11(4) . . . . ?
C14 C16 N6 C17 2(2) . . . . ?
C29 C16 N6 C17 -178.8(18) 2_665 . . . ?
C14 C16 N6 Co4 -167.4(13) . . . . ?
C29 C16 N6 Co4 12(2) 2_665 . . . ?
N6 Co4 N6 C17 -14(2) 3_565 . . . ?
N6 Co4 N6 C17 104.7(19) 2_665 . . . ?
O24 Co4 N6 C17 -151.2(19) 3_565 . . . ?
O24 Co4 N6 C17 -90(2) . . . . ?
O24 Co4 N6 C17 -172(2) 2_665 . . . ?
N6 Co4 N6 C16 148.8(11) 3_565 . . . ?
N6 Co4 N6 C16 -92.2(15) 2_665 . . . ?
O24 Co4 N6 C16 12(2) 3_565 . . . ?
O24 Co4 N6 C16 73.0(12) . . . . ?
O24 Co4 N6 C16 -9.3(11) 2_665 . . . ?
N8 C6 N7 C7 -3(2) 3 . . . ?
C23 C6 N7 C7 -172.5(16) . . . . ?
N8 C6 N7 Co5 -168.5(13) 3 . . . ?
C23 C6 N7 Co5 22(3) . . . . ?
C25 C7 N7 C6 -179.0(17) . . . . ?
C2 C7 N7 C6 2.8(16) 3 . . . ?
C25 C7 N7 Co5 -8.3(19) . . . . ?
C2 C7 N7 Co5 173.5(10) 3 . . . ?
O23 Co5 N7 C6 96(2) . . . . ?
N2 Co5 N7 C6 -83(2) . . . . ?
O15 Co5 N7 C6 1(2) . . . . ?
O21 Co5 N7 C6 174(2) . . . . ?
O23 Co5 N7 C7 -69.5(15) . . . . ?
N2 Co5 N7 C7 111.2(10) . . . . ?
O15 Co5 N7 C7 -164.7(9) . . . . ?
O21 Co5 N7 C7 7.8(9) . . . . ?
C1 C2 N8 C6 176.6(17) . . . 2 ?
C7 C2 N8 C6 0(2) 2 . . 2 ?
C1 C2 N8 Co3 9(2) . . . . ?
C7 C2 N8 Co3 -167.6(10) 2 . . . ?
O25 Co3 N8 C2 9(4) . . . . ?
N1 Co3 N8 C2 -106.4(12) . . . . ?
O9 Co3 N8 C2 176.7(12) . . . . ?
O8 Co3 N8 C2 -8.7(12) . . . . ?
O26 Co3 N8 C2 81.4(13) . . . . ?
O25 Co3 N8 C6 -154(4) . . . 2 ?
N1 Co3 N8 C6 90.9(18) . . . 2 ?
O9 Co3 N8 C6 14.1(19) . . . 2 ?
O8 Co3 N8 C6 -171.4(19) . . . 2 ?
O26 Co3 N8 C6 -81.3(18) . . . 2 ?
O2 C13 O1 U1 -139.8(14) . . . . ?
C10 C13 O1 U1 40(3) . . . . ?
O1 C13 O2 Co1 -178.8(13) . . . . ?
C10 C13 O2 Co1 1(2) . . . . ?
N5 Co1 O2 C13 -128.7(14) . . . . ?
O18 Co1 O2 C13 117.9(15) . . . . ?
N3 Co1 O2 C13 -9.0(14) . . . . ?
O5 Co1 O2 C13 67(4) . . . . ?
O4 C8 O3 U1 127.6(16) . . . . ?
C9 C8 O3 U1 -55(2) . . . . ?
O3 C8 O4 Co2 174.2(15) . . . . ?
C9 C8 O4 Co2 -3(2) . . . . ?
N4 Co2 O4 C8 -98.1(13) 2_655 . . . ?
N4 Co2 O4 C8 97.3(18) 3_665 . . . ?
N4 Co2 O4 C8 5.5(13) . . . . ?
O4 Co2 O4 C8 -172.8(14) 2_655 . . . ?
O4 Co2 O4 C8 102.2(15) 3_665 . . . ?
O6 C15 O5 Co1 -172.5(19) . . . . ?
C14 C15 O5 Co1 0(3) . . . . ?
N5 Co1 O5 C15 -0.1(15) . . . . ?
O18 Co1 O5 C15 113.9(16) . . . . ?
N3 Co1 O5 C15 -120.7(15) . . . . ?
O2 Co1 O5 C15 165(3) . . . . ?
O5 C15 O6 U2 -155(3) . . . 5_664 ?
C14 C15 O6 U2 32(5) . . . 5_664 ?
O8 C1 O7 U1 142.3(19) . . . . ?
C2 C1 O7 U1 -40(4) . . . . ?
O7 C1 O8 Co3 170.9(15) . . . . ?
C2 C1 O8 Co3 -6(2) . . . . ?
O25 Co3 O8 C1 -167.1(15) . . . . ?
N1 Co3 O8 C1 105.1(13) . . . . ?
N8 Co3 O8 C1 8.3(13) . . . . ?
O9 Co3 O8 C1 81(5) . . . . ?
O26 Co3 O8 C1 -80.9(14) . . . . ?
O10 C19 O9 Co3 174.1(14) . . . . ?
C20 C19 O9 Co3 -3.7(18) . . . . ?
O25 Co3 O9 C19 -78.9(15) . . . . ?
N1 Co3 O9 C19 8.2(12) . . . . ?
N8 Co3 O9 C19 104.3(13) . . . . ?
O8 Co3 O9 C19 33(6) . . . . ?
O26 Co3 O9 C19 -165.4(13) . . . . ?
O9 C19 O10 U2 -131.8(17) . . . . ?
C20 C19 O10 U2 46(3) . . . . ?
O15 C27 O12 U2 145.0(17) . . . . ?
C3 C27 O12 U2 -36(4) . . . . ?
O12 C27 O15 Co5 -178.1(18) . . . . ?
C3 C27 O15 Co5 3(3) . . . . ?
N7 Co5 O15 C27 -121.9(16) . . . . ?
O23 Co5 O15 C27 109.8(18) . . . . ?
N2 Co5 O15 C27 -3.7(16) . . . . ?
O21 Co5 O15 C27 151(4) . . . . ?
O22 C25 O21 Co5 177.5(17) . . . . ?
C7 C25 O21 Co5 6(2) . . . . ?
N7 Co5 O21 C25 -8.6(14) . . . . ?
O23 Co5 O21 C25 121.1(16) . . . . ?
N2 Co5 O21 C25 -126.3(14) . . . . ?
O15 Co5 O21 C25 80(5) . . . . ?
O21 C25 O22 U1 -158(2) . . . 3 ?
C7 C25 O22 U1 12(5) . . . 3 ?
O13 C29 O24 Co4 177.0(17) 4_554 . . . ?
C16 C29 O24 Co4 -1(2) 3_565 . . . ?
N6 Co4 O24 C29 6.3(14) 3_565 . . . ?
N6 Co4 O24 C29 -103.8(18) 2_665 . . . ?
N6 Co4 O24 C29 116.5(14) . . . . ?
O24 Co4 O24 C29 -82.9(16) 3_565 . . . ?
O24 Co4 O24 C29 -165.8(14) 2_665 . . . ?
N1 Co3 O25 O26 -137(4) . . . 2_655 ?
N8 Co3 O25 O26 106(4) . . . 2_655 ?
O9 Co3 O25 O26 -62(4) . . . 2_655 ?
O8 Co3 O25 O26 123(4) . . . 2_655 ?
O26 Co3 O25 O26 33(3) . . . 2_655 ?
O25 Co3 O26 O25 60(6) . . . 3_665 ?
N1 Co3 O26 O25 119(6) . . . 3_665 ?
N8 Co3 O26 O25 -106(6) . . . 3_665 ?
O9 Co3 O26 O25 153(6) . . . 3_665 ?
O8 Co3 O26 O25 -28(6) . . . 3_665 ?
C1 O7 U1 O11 -48(3) . . . . ?
C1 O7 U1 O19 135(3) . . . . ?
C1 O7 U1 O22 48(3) . . . 2 ?
C1 O7 U1 O3 -138(3) . . . . ?
C1 O7 U1 O1 -130(2) . . . . ?
C1 O7 U1 O20 41(3) . . . . ?
C8 O3 U1 O11 166.9(15) . . . . ?
C8 O3 U1 O19 -11.5(15) . . . . ?
C8 O3 U1 O22 -94.1(16) . . . 2 ?
C8 O3 U1 O7 -104.1(15) . . . . ?
C8 O3 U1 O1 80.6(14) . . . . ?
C8 O3 U1 O20 77.2(18) . . . . ?
C13 O1 U1 O11 -156.1(17) . . . . ?
C13 O1 U1 O19 22.0(17) . . . . ?
C13 O1 U1 O22 110.4(17) . . . 2 ?
C13 O1 U1 O7 -73(2) . . . . ?
C13 O1 U1 O3 -65.1(16) . . . . ?
C13 O1 U1 O20 112.8(17) . . . . ?
C29 O13 U2 O16 -88(4) 4 . . . ?
C29 O13 U2 O17 96(4) 4 . . . ?
C29 O13 U2 O6 -6(4) 4 . . 5_655 ?
C29 O13 U2 O12 173(4) 4 . . . ?
C29 O13 U2 O10 -176(5) 4 . . . ?
C29 O13 U2 O14 1(5) 4 . . . ?
C27 O12 U2 O16 -35(2) . . . . ?
C27 O12 U2 O17 142(3) . . . . ?
C27 O12 U2 O13 63(3) . . . . ?
C27 O12 U2 O6 -118(2) . . . 5_655 ?
C27 O12 U2 O10 53(2) . . . . ?
C27 O12 U2 O14 -121(3) . . . . ?
C19 O10 U2 O16 31.7(19) . . . . ?
C19 O10 U2 O17 -148(2) . . . . ?
C19 O10 U2 O13 124(2) . . . . ?
C19 O10 U2 O6 106(2) . . . 5_655 ?
C19 O10 U2 O12 -61.8(19) . . . . ?
C19 O10 U2 O14 -53(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.000
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.122

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.081 0.613 -0.015 5061 2343 ' '
2 0.000 0.000 0.408 16 8 ' '
3 0.000 0.000 0.908 16 8 ' '
4 0.333 0.667 0.564 65 18 ' '
5 0.666 0.333 0.064 65 17 ' '
_platon_squeeze_details          
;
;

