#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:09:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179096 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/58/4305841.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_4305841
loop_
_publ_author_name
'Trevor W. Hayton'
'Guang Wu'
_publ_contact_author             'Trevor W. Hayton'
_publ_contact_author_email       hayton@chem.ucsb.edu
_publ_section_title
;
Mixed-Ligand Uranyl(V) β-Diketiminate/β-Diketonate Complexes: Synthesis
and Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7415
_journal_page_last               7423
_journal_paper_doi               10.1021/ic800778j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C82 H106 Co N2 O5 U'
_chemical_formula_weight         1496.65
_chemical_name_systematic
;
 (bis(diisopropylphenyl)pentane-2,4-di-iminato)dioxouranium(v)dibenzoylmethanate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.739(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.905(3)
_cell_length_b                   18.632(5)
_cell_length_c                   14.527(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3684.9(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_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  0.2486
_diffrn_reflns_av_sigmaI/netI    0.3401
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26971
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    2.471
_exptl_absorpt_correction_T_max  0.318
_exptl_absorpt_correction_T_min  0.240
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1542
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.728
_refine_diff_density_min         -2.186
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       0.0120(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         6853
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.2446
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1236P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2487
_reflns_number_gt                2420
_reflns_number_total             6853
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800778j-file001_3.cif
_cod_data_source_block           th_3_01a
_cod_original_cell_volume        3685.0(16)
_cod_database_code               4305841
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
U1 U 0.85377(7) 0.7500 0.68505(6) 0.0518(4) Uani 1 2 d S . .
Co1 Co 0.7962(2) 0.7500 0.1881(2) 0.0714(10) Uani 1 2 d S . .
N1 N 0.9722(9) 0.8288(6) 0.7892(7) 0.045(3) Uani 1 1 d . . .
O2 O 0.7391(8) 0.6758(5) 0.5830(7) 0.063(3) Uani 1 1 d . . .
O3 O 0.9293(10) 0.7500 0.5976(8) 0.056(4) Uani 1 2 d S . .
O1 O 0.7796(10) 0.7500 0.7719(8) 0.051(4) Uani 1 2 d S . .
C8 C 0.8225(11) 0.9335(8) 0.8174(10) 0.056(4) Uani 1 1 d . . .
H8 H 0.8368 0.8864 0.8470 0.067 Uiso 1 1 calc R . .
C13 C 1.0224(11) 0.8191(8) 0.8745(9) 0.050(4) Uani 1 1 d . . .
C15 C 1.0385(15) 0.7500 0.9163(15) 0.055(6) Uani 1 2 d S . .
H15 H 1.0633 0.7500 0.9808 0.066 Uiso 1 2 calc SR . .
C3 C 0.8813(13) 1.0079(9) 0.6972(11) 0.066(5) Uani 1 1 d . . .
H3 H 0.8300 1.0391 0.7013 0.080 Uiso 1 1 calc R . .
C14 C 1.0702(14) 0.8800(8) 0.9353(10) 0.081(6) Uani 1 1 d . . .
H14A H 1.0660 0.9231 0.8985 0.122 Uiso 1 1 calc R . .
H14B H 1.1380 0.8687 0.9596 0.122 Uiso 1 1 calc R . .
H14C H 1.0373 0.8870 0.9866 0.122 Uiso 1 1 calc R . .
C1 C 0.9682(11) 0.8967(8) 0.7459(10) 0.050(4) Uani 1 1 d . . .
C2 C 0.8941(12) 0.9465(8) 0.7512(10) 0.055(4) Uani 1 1 d . . .
C6 C 1.0328(13) 0.9122(8) 0.6857(11) 0.061(4) Uani 1 1 d . . .
C24 C 0.6616(17) 0.7500 0.2153(15) 0.065(7) Uani 1 2 d S . .
C7 C 0.7135(11) 0.9349(9) 0.7669(10) 0.068(5) Uani 1 1 d . . .
H7A H 0.6986 0.9805 0.7367 0.101 Uiso 1 1 calc R . .
H7B H 0.6727 0.9277 0.8120 0.101 Uiso 1 1 calc R . .
H7C H 0.7016 0.8974 0.7206 0.101 Uiso 1 1 calc R . .
C28 C 0.7973(12) 0.7875(8) 0.3181(10) 0.059(4) Uani 1 1 d . . .
C5 C 1.0197(15) 0.9760(10) 0.6326(11) 0.079(6) Uani 1 1 d . . .
H5 H 1.0626 0.9870 0.5932 0.094 Uiso 1 1 calc R . .
C17 C 0.6338(17) 0.7500 0.4757(15) 0.060(6) Uani 1 2 d S . .
H17 H 0.5827 0.7500 0.4233 0.073 Uiso 1 2 calc SR . .
C18 C 0.6241(12) 0.6182(10) 0.4675(11) 0.067(5) Uani 1 1 d . . .
C11 C 1.1201(14) 0.8636(9) 0.6800(12) 0.076(5) Uani 1 1 d . . .
H11 H 1.1086 0.8174 0.7083 0.092 Uiso 1 1 calc R . .
C19 C 0.6743(14) 0.5546(10) 0.4842(12) 0.079(6) Uani 1 1 d . . .
H19 H 0.7352 0.5545 0.5251 0.095 Uiso 1 1 calc R . .
C16 C 0.6691(11) 0.6853(9) 0.5119(10) 0.052(4) Uani 1 1 d . . .
C4 C 0.9418(16) 1.0234(9) 0.6388(13) 0.079(6) Uani 1 1 d . . .
H4 H 0.9326 1.0650 0.6027 0.095 Uiso 1 1 calc R . .
C9 C 0.8389(14) 0.9915(8) 0.8956(11) 0.084(6) Uani 1 1 d . . .
H9A H 0.9042 0.9873 0.9325 0.126 Uiso 1 1 calc R . .
H9B H 0.7922 0.9849 0.9353 0.126 Uiso 1 1 calc R . .
H9C H 0.8304 1.0383 0.8674 0.126 Uiso 1 1 calc R . .
C12 C 1.1324(15) 0.8488(10) 0.5817(12) 0.100(7) Uani 1 1 d . . .
H12A H 1.1490 0.8926 0.5536 0.150 Uiso 1 1 calc R . .
H12B H 1.0722 0.8301 0.5454 0.150 Uiso 1 1 calc R . .
H12C H 1.1841 0.8144 0.5830 0.150 Uiso 1 1 calc R . .
C30 C 0.7925(13) 0.7880(11) 0.0554(12) 0.108(9) Uani 1 1 d D . .
C20 C 0.6385(16) 0.4907(11) 0.4430(14) 0.098(7) Uani 1 1 d . . .
H20 H 0.6754 0.4488 0.4530 0.117 Uiso 1 1 calc R . .
C26 C 0.7127(14) 0.8095(10) 0.2536(12) 0.079(5) Uani 1 1 d . . .
C39 C 0.479(2) 0.9748(16) 0.9106(19) 0.148(10) Uiso 1 1 d . . .
C23 C 0.5324(14) 0.6159(12) 0.4098(15) 0.112(8) Uani 1 1 d . . .
H23 H 0.4952 0.6577 0.3981 0.134 Uiso 1 1 calc R . .
C45 C 0.285(3) 0.7500 0.123(3) 0.153(14) Uiso 1 2 d S . .
H45 H 0.2785 0.7500 0.0579 0.184 Uiso 1 2 calc SR . .
C29 C 0.8733(15) 0.8328(11) 0.3826(11) 0.116(8) Uani 1 1 d . . .
H29A H 0.9035 0.8047 0.4361 0.174 Uiso 1 1 calc R . .
H29B H 0.8420 0.8739 0.4033 0.174 Uiso 1 1 calc R . .
H29C H 0.9225 0.8482 0.3492 0.174 Uiso 1 1 calc R . .
C25 C 0.5619(17) 0.7500 0.1477(18) 0.145(16) Uani 1 2 d S . .
H25A H 0.5105 0.7483 0.1829 0.217 Uiso 1 2 calc SR . .
H25B H 0.5572 0.7088 0.1073 0.217 Uiso 0.50 1 calc PR . .
H25C H 0.5553 0.7929 0.1103 0.217 Uiso 0.50 1 calc PR . .
C21 C 0.545(2) 0.4913(15) 0.386(2) 0.135(10) Uani 1 1 d . . .
H21 H 0.5171 0.4486 0.3593 0.162 Uiso 1 1 calc R . .
C38 C 0.419(2) 0.9315(15) 0.978(2) 0.163(11) Uiso 1 1 d . . .
C10 C 1.2152(15) 0.8948(15) 0.7383(16) 0.150(11) Uani 1 1 d . . .
H10A H 1.2704 0.8686 0.7254 0.224 Uiso 1 1 calc R . .
H10B H 1.2140 0.8910 0.8040 0.224 Uiso 1 1 calc R . .
H10C H 1.2208 0.9443 0.7221 0.224 Uiso 1 1 calc R . .
C31 C 0.7145(17) 0.8332(12) -0.0052(14) 0.138(9) Uani 1 1 d D . .
H31A H 0.6516 0.8108 -0.0094 0.206 Uiso 1 1 calc R . .
H31B H 0.7286 0.8375 -0.0669 0.206 Uiso 1 1 calc R . .
H31C H 0.7137 0.8800 0.0223 0.206 Uiso 1 1 calc R . .
C22 C 0.4947(17) 0.5511(17) 0.368(2) 0.155(13) Uani 1 1 d . . .
H22 H 0.4334 0.5506 0.3282 0.186 Uiso 1 1 calc R . .
C43 C 0.2874(19) 0.8140(16) 0.2634(19) 0.146(9) Uiso 1 1 d . . .
H43 H 0.2884 0.8587 0.2922 0.175 Uiso 1 1 calc R . .
C27 C 0.682(2) 0.8881(11) 0.2331(14) 0.162(12) Uani 1 1 d . . .
H27A H 0.6674 0.8958 0.1663 0.243 Uiso 1 1 calc R . .
H27B H 0.7351 0.9191 0.2616 0.243 Uiso 1 1 calc R . .
H27C H 0.6252 0.8984 0.2584 0.243 Uiso 1 1 calc R . .
C42 C 0.282(4) 0.7500 0.311(3) 0.183(17) Uiso 1 2 d SD . .
C36 C 0.463(2) 0.7138(14) 0.656(2) 0.199(14) Uiso 1 1 d . . .
H36A H 0.5131 0.6956 0.6238 0.239 Uiso 1 1 calc R . .
H36B H 0.3998 0.6956 0.6240 0.239 Uiso 1 1 calc R . .
O4 O 0.505(5) 0.7500 0.812(4) 0.36(3) Uiso 1 2 d S . .
C33 C 0.905(3) 0.8899(12) 0.1372(16) 0.30(3) Uani 1 1 d D . .
H33A H 0.9716 0.8931 0.1709 0.457 Uiso 1 1 calc R . .
H33B H 0.8622 0.9106 0.1744 0.457 Uiso 1 1 calc R . .
H33C H 0.8977 0.9154 0.0789 0.457 Uiso 1 1 calc R . .
C44 C 0.291(3) 0.806(2) 0.176(2) 0.204(14) Uiso 1 1 d . . .
H44 H 0.2990 0.8492 0.1452 0.244 Uiso 1 1 calc R . .
C40 C 0.539(3) 1.0216(19) 0.937(2) 0.176(12) Uiso 1 1 d . . .
C37 C 0.483(3) 0.693(2) 0.749(3) 0.26(2) Uiso 1 1 d . . .
H37A H 0.5385 0.6598 0.7595 0.317 Uiso 1 1 calc R . .
H37B H 0.4270 0.6672 0.7626 0.317 Uiso 1 1 calc R . .
C41 C 0.282(4) 0.7500 0.410(3) 0.23(2) Uiso 1 2 d SD . .
C32 C 0.8779(15) 0.8122(10) 0.1178(12) 0.157(14) Uani 1 1 d D . .
C35 C 1.0223(18) 0.7500 0.225(2) 0.32(5) Uani 1 2 d SD . .
H35A H 1.0180 0.7762 0.2812 0.485 Uiso 0.50 1 calc PR . .
H35B H 1.0699 0.7723 0.1951 0.485 Uiso 0.50 1 calc PR . .
H35C H 1.0418 0.7015 0.2416 0.485 Uiso 0.50 1 calc PR . .
C34 C 0.924(2) 0.7500 0.160(2) 0.17(2) Uani 1 2 d SD . .
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
_geom_angle_publ_flag
O1 U1 O3 179.7(6) . . ?
O1 U1 O2 91.7(4) . . ?
O3 U1 O2 88.5(4) . . ?
O1 U1 O2 91.7(4) . 4_575 ?
O3 U1 O2 88.5(4) . 4_575 ?
O2 U1 O2 70.8(5) . 4_575 ?
O1 U1 N1 88.6(4) . . ?
O3 U1 N1 91.2(4) . . ?
O2 U1 N1 179.0(4) . . ?
O2 U1 N1 108.3(3) 4_575 . ?
O1 U1 N1 88.6(4) . 4_575 ?
O3 U1 N1 91.2(4) . 4_575 ?
O2 U1 N1 108.3(3) . 4_575 ?
O2 U1 N1 179.0(4) 4_575 4_575 ?
N1 U1 N1 72.6(5) . 4_575 ?
C34 Co1 C26 140.1(7) . 4_575 ?
C34 Co1 C26 140.1(7) . . ?
C26 Co1 C26 68.0(11) 4_575 . ?
C34 Co1 C24 179.0(11) . . ?
C26 Co1 C24 40.4(6) 4_575 . ?
C26 Co1 C24 40.4(6) . . ?
C34 Co1 C28 112.0(9) . . ?
C26 Co1 C28 68.7(6) 4_575 . ?
C26 Co1 C28 41.2(6) . . ?
C24 Co1 C28 68.9(7) . . ?
C34 Co1 C28 112.0(9) . 4_575 ?
C26 Co1 C28 41.2(6) 4_575 4_575 ?
C26 Co1 C28 68.7(6) . 4_575 ?
C24 Co1 C28 68.9(7) . 4_575 ?
C28 Co1 C28 40.7(8) . 4_575 ?
C34 Co1 C32 41.5(4) . 4_575 ?
C26 Co1 C32 111.3(8) 4_575 4_575 ?
C26 Co1 C32 178.1(8) . 4_575 ?
C24 Co1 C32 137.9(6) . 4_575 ?
C28 Co1 C32 140.4(7) . 4_575 ?
C28 Co1 C32 112.0(6) 4_575 4_575 ?
C34 Co1 C32 41.5(4) . . ?
C26 Co1 C32 178.1(8) 4_575 . ?
C26 Co1 C32 111.3(8) . . ?
C24 Co1 C32 137.9(6) . . ?
C28 Co1 C32 112.0(6) . . ?
C28 Co1 C32 140.4(7) 4_575 . ?
C32 Co1 C32 69.4(11) 4_575 . ?
C34 Co1 C30 69.0(9) . 4_575 ?
C26 Co1 C30 110.7(7) 4_575 4_575 ?
C26 Co1 C30 137.8(7) . 4_575 ?
C24 Co1 C30 110.1(8) . 4_575 ?
C28 Co1 C30 179.0(7) . 4_575 ?
C28 Co1 C30 139.4(7) 4_575 4_575 ?
C32 Co1 C30 40.5(3) 4_575 4_575 ?
C32 Co1 C30 68.5(7) . 4_575 ?
C34 Co1 C30 69.0(9) . . ?
C26 Co1 C30 137.8(7) 4_575 . ?
C26 Co1 C30 110.7(7) . . ?
C24 Co1 C30 110.1(8) . . ?
C28 Co1 C30 139.4(7) . . ?
C28 Co1 C30 179.0(7) 4_575 . ?
C32 Co1 C30 68.5(7) 4_575 . ?
C32 Co1 C30 40.5(3) . . ?
C30 Co1 C30 40.5(11) 4_575 . ?
C13 N1 C1 120.9(12) . . ?
C13 N1 U1 131.2(9) . . ?
C1 N1 U1 107.4(8) . . ?
C16 O2 U1 136.5(10) . . ?
C2 C8 C7 113.5(12) . . ?
C2 C8 C9 109.3(13) . . ?
C7 C8 C9 108.6(13) . . ?
N1 C13 C15 122.6(14) . . ?
N1 C13 C14 122.6(13) . . ?
C15 C13 C14 114.7(13) . . ?
C13 C15 C13 129.8(19) 4_575 . ?
C4 C3 C2 120.8(17) . . ?
C2 C1 C6 118.0(15) . . ?
C2 C1 N1 122.2(14) . . ?
C6 C1 N1 119.3(14) . . ?
C3 C2 C1 122.0(16) . . ?
C3 C2 C8 117.5(15) . . ?
C1 C2 C8 120.5(14) . . ?
C1 C6 C5 119.0(17) . . ?
C1 C6 C11 121.7(14) . . ?
C5 C6 C11 119.1(17) . . ?
C26 C24 C26 108(2) . 4_575 ?
C26 C24 C25 126.0(11) . . ?
C26 C24 C25 126.0(11) 4_575 . ?
C26 C24 Co1 69.5(12) . . ?
C26 C24 Co1 69.5(12) 4_575 . ?
C25 C24 Co1 129.7(17) . . ?
C28 C28 C26 106.9(11) 4_575 . ?
C28 C28 C29 123.7(11) 4_575 . ?
C26 C28 C29 129.2(17) . . ?
C28 C28 Co1 69.7(4) 4_575 . ?
C26 C28 Co1 68.3(9) . . ?
C29 C28 Co1 130.1(11) . . ?
C6 C5 C4 120.5(18) . . ?
C16 C17 C16 124(2) . 4_575 ?
C19 C18 C23 117.2(18) . . ?
C19 C18 C16 119.7(15) . . ?
C23 C18 C16 123.1(18) . . ?
C12 C11 C6 113.9(16) . . ?
C12 C11 C10 110.1(16) . . ?
C6 C11 C10 110.5(15) . . ?
C18 C19 C20 122.9(19) . . ?
O2 C16 C17 125.9(16) . . ?
O2 C16 C18 114.8(15) . . ?
C17 C16 C18 119.3(15) . . ?
C3 C4 C5 119.6(16) . . ?
C32 C30 C30 108.6(11) . 4_575 ?
C32 C30 C31 127.4(18) . . ?
C30 C30 C31 124.0(12) 4_575 . ?
C32 C30 Co1 69.5(11) . . ?
C30 C30 Co1 69.7(5) 4_575 . ?
C31 C30 Co1 128.4(13) . . ?
C19 C20 C21 118(2) . . ?
C24 C26 C28 109.2(17) . . ?
C24 C26 C27 126.3(18) . . ?
C28 C26 C27 124.5(19) . . ?
C24 C26 Co1 70.0(13) . . ?
C28 C26 Co1 70.4(10) . . ?
C27 C26 Co1 127.2(14) . . ?
C40 C39 C38 125(3) . . ?
C18 C23 C22 120(2) . . ?
C44 C45 C44 109(5) . 4_575 ?
C22 C21 C20 121(2) . . ?
C40 C38 C39 93(2) 3_677 . ?
C21 C22 C23 121(2) . . ?
C44 C43 C42 114(4) . . ?
C43 C42 C43 119(4) 4_575 . ?
C43 C42 C41 121(2) 4_575 . ?
C43 C42 C41 121(2) . . ?
C36 C36 C37 106(2) 4_575 . ?
C37 O4 C37 100(6) . 4_575 ?
C43 C44 C45 132(4) . . ?
C39 C40 C38 141(3) . 3_677 ?
C36 C37 O4 113(4) . . ?
C34 C32 C30 105.5(19) . . ?
C34 C32 C33 129.6(19) . . ?
C30 C32 C33 124.8(18) . . ?
C34 C32 Co1 64.3(16) . . ?
C30 C32 Co1 70.0(11) . . ?
C33 C32 Co1 126.5(16) . . ?
C32 C34 C32 111(2) 4_575 . ?
C32 C34 C35 123.7(12) 4_575 . ?
C32 C34 C35 123.7(12) . . ?
C32 C34 Co1 74.2(16) 4_575 . ?
C32 C34 Co1 74.2(16) . . ?
C35 C34 Co1 129(2) . . ?
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
U1 O1 1.785(12) . ?
U1 O3 1.806(12) . ?
U1 O2 2.385(11) . ?
U1 O2 2.385(11) 4_575 ?
U1 N1 2.478(12) . ?
U1 N1 2.478(12) 4_575 ?
Co1 C34 1.91(3) . ?
Co1 C26 1.984(17) 4_575 ?
Co1 C26 1.984(17) . ?
Co1 C24 1.99(2) . ?
Co1 C28 2.011(15) . ?
Co1 C28 2.011(15) 4_575 ?
Co1 C32 2.04(2) 4_575 ?
Co1 C32 2.04(2) . ?
Co1 C30 2.044(17) 4_575 ?
Co1 C30 2.044(17) . ?
N1 C13 1.305(16) . ?
N1 C1 1.410(17) . ?
O2 C16 1.279(16) . ?
C8 C2 1.54(2) . ?
C8 C7 1.543(19) . ?
C8 C9 1.552(19) . ?
C13 C15 1.421(16) . ?
C13 C14 1.507(18) . ?
C15 C13 1.421(16) 4_575 ?
C3 C4 1.34(2) . ?
C3 C2 1.38(2) . ?
C1 C2 1.40(2) . ?
C1 C6 1.41(2) . ?
C6 C5 1.41(2) . ?
C6 C11 1.53(2) . ?
C24 C26 1.37(2) . ?
C24 C26 1.37(2) 4_575 ?
C24 C25 1.53(3) . ?
C28 C28 1.40(3) 4_575 ?
C28 C26 1.41(2) . ?
C28 C29 1.52(2) . ?
C5 C4 1.41(2) . ?
C17 C16 1.367(18) . ?
C17 C16 1.367(19) 4_575 ?
C18 C19 1.37(2) . ?
C18 C23 1.38(2) . ?
C18 C16 1.48(2) . ?
C11 C12 1.50(2) . ?
C11 C10 1.53(3) . ?
C19 C20 1.38(2) . ?
C30 C32 1.413(10) . ?
C30 C30 1.42(4) 4_575 ?
C30 C31 1.507(10) . ?
C20 C21 1.40(3) . ?
C26 C27 1.54(2) . ?
C39 C40 1.22(4) . ?
C39 C38 1.61(3) . ?
C23 C22 1.40(3) . ?
C45 C44 1.30(4) . ?
C45 C44 1.30(4) 4_575 ?
C21 C22 1.31(3) . ?
C38 C40 1.54(4) 3_677 ?
C43 C44 1.29(3) . ?
C43 C42 1.39(3) . ?
C42 C43 1.39(3) 4_575 ?
C42 C41 1.442(10) . ?
C36 C36 1.35(5) 4_575 ?
C36 C37 1.39(4) . ?
O4 C37 1.40(5) . ?
O4 C37 1.40(5) 4_575 ?
C33 C32 1.507(10) . ?
C40 C38 1.54(4) 3_677 ?
C32 C34 1.403(10) . ?
C35 C34 1.496(10) . ?
C34 C32 1.403(10) 4_575 ?
