#------------------------------------------------------------------------------
#$Date: 2015-12-06 08:31:10 +0200 (Sun, 06 Dec 2015) $
#$Revision: 170792 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/44/4344441.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_4344441
loop_
_publ_author_name
'Thuéry, Pierre'
'Harrowfield, Jack'
_publ_section_title
;
 A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of
 Aliphatic α,ω-Dicarboxylates.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10539
_journal_page_last               10541
_journal_paper_doi               10.1021/acs.inorgchem.5b02348
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C80 H80 Co2 N8 O20 U2'
_chemical_formula_weight         2067.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                108.374(3)
_cell_angle_beta                 97.421(3)
_cell_angle_gamma                104.217(3)
_cell_formula_units_Z            1
_cell_length_a                   9.1209(5)
_cell_length_b                   14.1336(8)
_cell_length_c                   16.6835(9)
_cell_measurement_reflns_used    43344
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.36
_cell_volume                     1928.01(19)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Nonius Kappa-CCD area-detector diffractometer'
_diffrn_measurement_method
'two φ and two ω scans with 2° steps (301 frames)'
_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  0.0424
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43344
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.679
_diffrn_reflns_theta_min         2.364
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.689
_exptl_absorpt_correction_T_max  0.656
_exptl_absorpt_correction_T_min  0.441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'translucent light orange'
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1014
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.797
_refine_diff_density_min         -1.623
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0351P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0690
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6380
_reflns_number_total             7288
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b02348_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 4344436--4344441.cif.'
_cod_database_code               4344441
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
U1 U 0.29790(2) 0.56982(2) 0.28034(2) 0.02625(6) Uani 1 1 d . .
Co1 Co 0.05133(6) 1.00910(4) 0.25677(3) 0.02363(12) Uani 1 1 d . .
O1 O 0.2809(3) 0.6958(2) 0.29357(17) 0.0331(6) Uani 1 1 d . .
O2 O 0.3108(3) 0.4427(2) 0.26707(17) 0.0317(6) Uani 1 1 d . .
O3 O 0.5128(3) 0.6436(2) 0.40978(17) 0.0357(7) Uani 1 1 d . .
O4 O 0.2779(3) 0.5915(2) 0.42896(17) 0.0307(6) Uani 1 1 d . .
O5 O -0.0247(3) 0.4789(2) 0.70212(18) 0.0360(7) Uani 1 1 d . .
O6 O -0.0606(3) 0.5122(2) 0.83408(17) 0.0328(6) Uani 1 1 d . .
O7 O 0.3411(3) 0.5510(2) 0.13386(17) 0.0352(7) Uani 1 1 d . .
O8 O 0.5483(3) 0.6284(2) 0.24041(17) 0.0330(6) Uani 1 1 d . .
O9 O 0.2758(3) 1.0572(2) 0.22504(17) 0.0296(6) Uani 1 1 d . .
O10 O 0.2514(3) 1.0005(2) 0.33217(16) 0.0302(6) Uani 1 1 d . .
N1 N -0.0895(4) 0.9630(2) 0.33703(19) 0.0254(7) Uani 1 1 d . .
N2 N 0.0494(4) 1.1573(2) 0.34116(19) 0.0241(7) Uani 1 1 d . .
N3 N 0.0152(4) 0.8564(2) 0.16521(19) 0.0257(7) Uani 1 1 d . .
N4 N -0.0800(4) 1.0144(2) 0.14330(19) 0.0246(7) Uani 1 1 d . .
C1 C 0.4219(5) 0.6323(3) 0.4599(3) 0.0308(9) Uani 1 1 d . .
C2 C 0.4863(5) 0.6657(4) 0.5552(3) 0.0435(11) Uani 1 1 d . .
H2A H 0.5412 0.7418 0.5781 0.052 Uiso 1 1 calc R U
H2B H 0.5642 0.6297 0.5637 0.052 Uiso 1 1 calc R U
C3 C 0.3687(5) 0.6445(4) 0.6085(3) 0.0444(12) Uani 1 1 d . .
H3A H 0.2813 0.6701 0.5931 0.053 Uiso 1 1 calc R U
H3B H 0.3269 0.5679 0.5934 0.053 Uiso 1 1 calc R U
C4 C 0.4351(6) 0.6956(4) 0.7047(3) 0.0438(11) Uani 1 1 d . .
H4A H 0.4719 0.7724 0.7200 0.053 Uiso 1 1 calc R U
H4B H 0.5262 0.6729 0.7193 0.053 Uiso 1 1 calc R U
C5 C 0.3211(6) 0.6704(4) 0.7592(3) 0.0459(12) Uani 1 1 d . .
H5A H 0.2178 0.6715 0.7333 0.055 Uiso 1 1 calc R U
H5B H 0.3562 0.7244 0.8183 0.055 Uiso 1 1 calc R U
C6 C 0.3084(5) 0.5623(4) 0.7645(3) 0.0483(12) Uani 1 1 d . .
H6A H 0.2722 0.5090 0.7051 0.058 Uiso 1 1 calc R U
H6B H 0.4129 0.5615 0.7886 0.058 Uiso 1 1 calc R U
C7 C 0.2006(5) 0.5326(4) 0.8189(3) 0.0439(11) Uani 1 1 d . .
H7A H 0.2297 0.5905 0.8758 0.053 Uiso 1 1 calc R U
H7B H 0.2174 0.4705 0.8295 0.053 Uiso 1 1 calc R U
C8 C 0.0306(5) 0.5082(3) 0.7826(3) 0.0318(9) Uani 1 1 d . .
C9 C 0.4836(5) 0.6038(3) 0.1611(3) 0.0325(9) Uani 1 1 d . .
C10 C 0.5709(5) 0.6420(3) 0.1013(3) 0.0352(10) Uani 1 1 d . .
H10A H 0.5570 0.5826 0.0470 0.042 Uiso 1 1 calc R U
H10B H 0.6831 0.6715 0.1290 0.042 Uiso 1 1 calc R U
C11 C 0.5121(5) 0.7258(3) 0.0806(3) 0.0374(10) Uani 1 1 d . .
H11A H 0.5586 0.7420 0.0342 0.045 Uiso 1 1 calc R U
H11B H 0.3980 0.6983 0.0587 0.045 Uiso 1 1 calc R U
C12 C 0.5520(5) 0.8257(3) 0.1595(3) 0.0352(10) Uani 1 1 d . .
H12A H 0.6657 0.8510 0.1826 0.042 Uiso 1 1 calc R U
H12B H 0.5026 0.8092 0.2050 0.042 Uiso 1 1 calc R U
C13 C 0.5005(5) 0.9134(3) 0.1415(3) 0.0360(10) Uani 1 1 d . .
H13A H 0.5325 0.9206 0.0887 0.043 Uiso 1 1 calc R U
H13B H 0.3858 0.8936 0.1298 0.043 Uiso 1 1 calc R U
C14 C 0.5672(5) 1.0191(3) 0.2158(3) 0.0346(10) Uani 1 1 d . .
H14A H 0.5493 1.0741 0.1944 0.042 Uiso 1 1 calc R U
H14B H 0.6808 1.0337 0.2332 0.042 Uiso 1 1 calc R U
C15 C 0.4989(5) 1.0270(3) 0.2960(3) 0.0321(9) Uani 1 1 d . .
H15A H 0.5043 0.9666 0.3130 0.039 Uiso 1 1 calc R U
H15B H 0.5638 1.0914 0.3444 0.039 Uiso 1 1 calc R U
C16 C 0.3338(5) 1.0290(3) 0.2833(2) 0.0269(8) Uani 1 1 d . .
C17 C -0.1568(5) 0.8673(3) 0.3353(3) 0.0310(9) Uani 1 1 d . .
H17 H -0.1498 0.8092 0.2897 0.037 Uiso 1 1 calc R U
C18 C -0.2374(5) 0.8480(3) 0.3974(3) 0.0325(9) Uani 1 1 d . .
H18 H -0.2835 0.7782 0.3936 0.039 Uiso 1 1 calc R U
C19 C -0.2489(5) 0.9303(3) 0.4633(2) 0.0303(9) Uani 1 1 d . .
H19 H -0.3037 0.9185 0.5057 0.036 Uiso 1 1 calc R U
C20 C -0.1788(5) 1.0336(3) 0.4680(2) 0.0286(9) Uani 1 1 d . .
C21 C -0.0999(4) 1.0457(3) 0.4035(2) 0.0229(8) Uani 1 1 d . .
C22 C -0.0268(4) 1.1493(3) 0.4050(2) 0.0245(8) Uani 1 1 d . .
C23 C -0.0355(5) 1.2368(3) 0.4712(2) 0.0288(9) Uani 1 1 d . .
C24 C -0.1156(5) 1.2217(3) 0.5369(3) 0.0348(10) Uani 1 1 d . .
H24 H -0.1203 1.2809 0.5822 0.042 Uiso 1 1 calc R U
C25 C -0.1843(5) 1.1247(3) 0.5352(2) 0.0316(9) Uani 1 1 d . .
H25 H -0.2371 1.1167 0.5793 0.038 Uiso 1 1 calc R U
C26 C 0.0348(5) 1.3366(3) 0.4694(3) 0.0347(10) Uani 1 1 d . .
H26 H 0.0317 1.3980 0.5131 0.042 Uiso 1 1 calc R U
C27 C 0.1078(5) 1.3435(3) 0.4035(3) 0.0336(9) Uani 1 1 d . .
H27 H 0.1535 1.4098 0.4001 0.040 Uiso 1 1 calc R U
C28 C 0.1140(5) 1.2529(3) 0.3419(2) 0.0302(9) Uani 1 1 d . .
H28 H 0.1674 1.2594 0.2977 0.036 Uiso 1 1 calc R U
C29 C 0.0688(5) 0.7802(3) 0.1752(3) 0.0305(9) Uani 1 1 d . .
H29 H 0.1255 0.7910 0.2310 0.037 Uiso 1 1 calc R U
C30 C 0.0463(5) 0.6860(3) 0.1086(3) 0.0348(10) Uani 1 1 d . .
H30 H 0.0888 0.6347 0.1187 0.042 Uiso 1 1 calc R U
C31 C -0.0380(5) 0.6675(3) 0.0280(3) 0.0349(10) Uani 1 1 d . .
H31 H -0.0570 0.6025 -0.0179 0.042 Uiso 1 1 calc R U
C32 C -0.0961(5) 0.7463(3) 0.0141(2) 0.0291(9) Uani 1 1 d . .
C33 C -0.0647(4) 0.8399(3) 0.0847(2) 0.0235(8) Uani 1 1 d . .
C34 C -0.1145(4) 0.9248(3) 0.0731(2) 0.0247(8) Uani 1 1 d . .
C35 C -0.1953(5) 0.9124(3) -0.0093(2) 0.0280(9) Uani 1 1 d . .
C36 C -0.2271(5) 0.8154(3) -0.0792(2) 0.0325(9) Uani 1 1 d . .
H36 H -0.2818 0.8067 -0.1348 0.039 Uiso 1 1 calc R U
C37 C -0.1812(5) 0.7354(3) -0.0682(2) 0.0353(10) Uani 1 1 d . .
H37 H -0.2058 0.6713 -0.1158 0.042 Uiso 1 1 calc R U
C38 C -0.2370(5) 0.9987(3) -0.0181(3) 0.0324(9) Uani 1 1 d . .
H38 H -0.2894 0.9945 -0.0727 0.039 Uiso 1 1 calc R U
C39 C -0.2016(5) 1.0884(3) 0.0523(3) 0.0325(9) Uani 1 1 d . .
H39 H -0.2306 1.1467 0.0473 0.039 Uiso 1 1 calc R U
C40 C -0.1221(5) 1.0942(3) 0.1322(3) 0.0300(9) Uani 1 1 d . .
H40 H -0.0970 1.1576 0.1806 0.036 Uiso 1 1 calc R U
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'
U U -9.6767 9.6646 '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
O1 U1 O2 178.82(12) . .
O1 U1 O4 91.93(11) . .
O2 U1 O4 87.72(11) . .
O1 U1 O6 90.97(11) . 2_566
O2 U1 O6 88.21(11) . 2_566
O4 U1 O6 118.51(9) . 2_566
O1 U1 O3 91.12(12) . .
O2 U1 O3 89.57(11) . .
O4 U1 O3 52.99(9) . .
O6 U1 O3 171.32(9) 2_566 .
O1 U1 O7 89.04(11) . .
O2 U1 O7 91.40(11) . .
O4 U1 O7 175.34(9) . .
O6 U1 O7 66.01(9) 2_566 .
O3 U1 O7 122.45(9) . .
O1 U1 O8 86.83(11) . .
O2 U1 O8 94.31(11) . .
O4 U1 O8 122.83(9) . .
O6 U1 O8 118.66(9) 2_566 .
O3 U1 O8 69.88(9) . .
O7 U1 O8 52.67(9) . .
O1 U1 O5 86.79(11) . 2_566
O2 U1 O5 92.03(11) . 2_566
O4 U1 O5 66.37(9) . 2_566
O6 U1 O5 52.51(9) 2_566 2_566
O3 U1 O5 119.22(9) . 2_566
O7 U1 O5 118.24(9) . 2_566
O8 U1 O5 168.99(9) . 2_566
N1 Co1 N2 79.17(12) . .
N1 Co1 O10 91.58(11) . .
N2 Co1 O10 97.08(11) . .
N1 Co1 N3 97.03(12) . .
N2 Co1 N3 170.99(12) . .
O10 Co1 N3 91.16(11) . .
N1 Co1 N4 112.69(12) . .
N2 Co1 N4 95.57(11) . .
O10 Co1 N4 154.36(11) . .
N3 Co1 N4 78.26(12) . .
N1 Co1 O9 152.38(11) . .
N2 Co1 O9 99.09(11) . .
O10 Co1 O9 61.09(10) . .
N3 Co1 O9 88.07(11) . .
N4 Co1 O9 94.93(11) . .
N1 Co1 C16 122.26(12) . .
N2 Co1 C16 101.34(12) . .
O10 Co1 C16 30.68(11) . .
N3 Co1 C16 87.61(13) . .
N4 Co1 C16 124.49(12) . .
O9 Co1 C16 30.52(11) . .
C1 O3 U1 92.9(2) . .
C1 O4 U1 94.4(2) . .
C8 O5 U1 92.6(2) . 2_566
C8 O6 U1 95.0(2) . 2_566
C9 O7 U1 93.9(2) . .
C9 O8 U1 93.1(2) . .
C16 O9 Co1 88.2(2) . .
C16 O10 Co1 90.3(2) . .
C17 N1 C21 117.4(3) . .
C17 N1 Co1 129.2(3) . .
C21 N1 Co1 113.2(2) . .
C28 N2 C22 117.4(3) . .
C28 N2 Co1 130.1(3) . .
C22 N2 Co1 112.5(2) . .
C29 N3 C33 117.5(3) . .
C29 N3 Co1 128.7(3) . .
C33 N3 Co1 113.6(2) . .
C40 N4 C34 117.8(3) . .
C40 N4 Co1 128.8(3) . .
C34 N4 Co1 113.3(2) . .
O4 C1 O3 119.7(4) . .
O4 C1 C2 120.4(4) . .
O3 C1 C2 120.0(4) . .
C1 C2 C3 115.6(4) . .
C1 C2 H2A 108.4 . .
C3 C2 H2A 108.4 . .
C1 C2 H2B 108.4 . .
C3 C2 H2B 108.4 . .
H2A C2 H2B 107.4 . .
C4 C3 C2 113.2(4) . .
C4 C3 H3A 108.9 . .
C2 C3 H3A 108.9 . .
C4 C3 H3B 108.9 . .
C2 C3 H3B 108.9 . .
H3A C3 H3B 107.8 . .
C3 C4 C5 114.0(4) . .
C3 C4 H4A 108.8 . .
C5 C4 H4A 108.8 . .
C3 C4 H4B 108.8 . .
C5 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
C4 C5 C6 110.5(4) . .
C4 C5 H5A 109.5 . .
C6 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C6 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
C7 C6 C5 113.9(4) . .
C7 C6 H6A 108.8 . .
C5 C6 H6A 108.8 . .
C7 C6 H6B 108.8 . .
C5 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
C6 C7 C8 116.5(4) . .
C6 C7 H7A 108.2 . .
C8 C7 H7A 108.2 . .
C6 C7 H7B 108.2 . .
C8 C7 H7B 108.2 . .
H7A C7 H7B 107.3 . .
O5 C8 O6 119.3(4) . .
O5 C8 C7 121.9(4) . .
O6 C8 C7 118.7(4) . .
O7 C9 O8 119.3(4) . .
O7 C9 C10 119.7(4) . .
O8 C9 C10 120.9(4) . .
C9 C10 C11 110.3(3) . .
C9 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
C9 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
C12 C11 C10 112.0(4) . .
C12 C11 H11A 109.2 . .
C10 C11 H11A 109.2 . .
C12 C11 H11B 109.2 . .
C10 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
C11 C12 C13 114.1(3) . .
C11 C12 H12A 108.7 . .
C13 C12 H12A 108.7 . .
C11 C12 H12B 108.7 . .
C13 C12 H12B 108.7 . .
H12A C12 H12B 107.6 . .
C14 C13 C12 113.7(3) . .
C14 C13 H13A 108.8 . .
C12 C13 H13A 108.8 . .
C14 C13 H13B 108.8 . .
C12 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C13 C14 C15 114.7(4) . .
C13 C14 H14A 108.6 . .
C15 C14 H14A 108.6 . .
C13 C14 H14B 108.6 . .
C15 C14 H14B 108.6 . .
H14A C14 H14B 107.6 . .
C16 C15 C14 114.1(3) . .
C16 C15 H15A 108.7 . .
C14 C15 H15A 108.7 . .
C16 C15 H15B 108.7 . .
C14 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
O9 C16 O10 119.9(4) . .
O9 C16 C15 121.7(3) . .
O10 C16 C15 118.4(3) . .
N1 C17 C18 123.3(4) . .
N1 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
C19 C18 C17 119.3(4) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 119.5(4) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C21 C20 C19 117.5(3) . .
C21 C20 C25 119.3(4) . .
C19 C20 C25 123.3(3) . .
N1 C21 C20 123.0(3) . .
N1 C21 C22 117.2(3) . .
C20 C21 C22 119.7(3) . .
N2 C22 C23 122.8(4) . .
N2 C22 C21 117.6(3) . .
C23 C22 C21 119.6(3) . .
C22 C23 C26 117.8(4) . .
C22 C23 C24 119.3(4) . .
C26 C23 C24 122.8(4) . .
C25 C24 C23 121.1(4) . .
C25 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C24 C25 C20 121.0(4) . .
C24 C25 H25 119.5 . .
C20 C25 H25 119.5 . .
C27 C26 C23 118.8(4) . .
C27 C26 H26 120.6 . .
C23 C26 H26 120.6 . .
C26 C27 C28 119.4(4) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
N2 C28 C27 123.6(4) . .
N2 C28 H28 118.2 . .
C27 C28 H28 118.2 . .
N3 C29 C30 123.5(4) . .
N3 C29 H29 118.3 . .
C30 C29 H29 118.3 . .
C31 C30 C29 119.5(4) . .
C31 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C30 C31 C32 119.0(4) . .
C30 C31 H31 120.5 . .
C32 C31 H31 120.5 . .
C33 C32 C31 117.6(4) . .
C33 C32 C37 119.3(4) . .
C31 C32 C37 123.1(4) . .
N3 C33 C32 122.9(3) . .
N3 C33 C34 117.2(3) . .
C32 C33 C34 119.8(3) . .
N4 C34 C35 122.9(3) . .
N4 C34 C33 117.6(3) . .
C35 C34 C33 119.5(3) . .
C34 C35 C38 117.3(4) . .
C34 C35 C36 119.1(4) . .
C38 C35 C36 123.6(3) . .
C37 C36 C35 121.5(4) . .
C37 C36 H36 119.2 . .
C35 C36 H36 119.2 . .
C36 C37 C32 120.8(4) . .
C36 C37 H37 119.6 . .
C32 C37 H37 119.6 . .
C39 C38 C35 119.5(4) . .
C39 C38 H38 120.3 . .
C35 C38 H38 120.3 . .
C38 C39 C40 119.7(4) . .
C38 C39 H39 120.2 . .
C40 C39 H39 120.2 . .
N4 C40 C39 122.8(4) . .
N4 C40 H40 118.6 . .
C39 C40 H40 118.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.772(3) .
U1 O2 1.775(3) .
U1 O4 2.437(3) .
U1 O6 2.445(3) 2_566
U1 O3 2.465(3) .
U1 O7 2.467(3) .
U1 O8 2.481(3) .
U1 O5 2.499(3) 2_566
Co1 N1 2.109(3) .
Co1 N2 2.129(3) .
Co1 O10 2.131(3) .
Co1 N3 2.131(3) .
Co1 N4 2.138(3) .
Co1 O9 2.181(3) .
Co1 C16 2.487(4) .
O3 C1 1.269(5) .
O4 C1 1.261(5) .
O5 C8 1.266(5) .
O5 U1 2.499(3) 2_566
O6 C8 1.268(5) .
O6 U1 2.445(3) 2_566
O7 C9 1.269(5) .
O8 C9 1.275(5) .
O9 C16 1.263(5) .
O10 C16 1.269(4) .
N1 C17 1.331(5) .
N1 C21 1.367(5) .
N2 C28 1.331(5) .
N2 C22 1.364(5) .
N3 C29 1.333(5) .
N3 C33 1.362(5) .
N4 C40 1.333(5) .
N4 C34 1.360(5) .
C1 C2 1.499(6) .
C2 C3 1.512(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.506(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.518(6) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.535(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.495(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.501(6) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 C10 1.502(5) .
C10 C11 1.528(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.520(6) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.528(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.526(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.532(5) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.503(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C17 C18 1.402(5) .
C17 H17 0.9500 .
C18 C19 1.363(6) .
C18 H18 0.9500 .
C19 C20 1.414(6) .
C19 H19 0.9500 .
C20 C21 1.401(5) .
C20 C25 1.433(5) .
C21 C22 1.443(5) .
C22 C23 1.401(5) .
C23 C26 1.411(6) .
C23 C24 1.434(6) .
C24 C25 1.351(6) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.374(6) .
C26 H26 0.9500 .
C27 C28 1.386(6) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.388(5) .
C29 H29 0.9500 .
C30 C31 1.370(6) .
C30 H30 0.9500 .
C31 C32 1.414(6) .
C31 H31 0.9500 .
C32 C33 1.401(5) .
C32 C37 1.431(5) .
C33 C34 1.441(5) .
C34 C35 1.409(5) .
C35 C38 1.408(6) .
C35 C36 1.426(5) .
C36 C37 1.352(6) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C38 C39 1.361(6) .
C38 H38 0.9500 .
C39 C40 1.400(5) .
C39 H39 0.9500 .
C40 H40 0.9500 .
