#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:46:15 +0300 (Tue, 05 May 2020) $
#$Revision: 251570 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/62/7126200.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_7126200
loop_
_publ_author_name
'Kelley, Steven P.'
'Smetana, Volodymyr'
'Emerson, Stephen D.'
'Mudring, Anja-Verena'
'Rogers, Robin D.'
_publ_section_title
;
 Benchtop access to anhydrous actinide N-donor coordination complexes
 using ionic liquids.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4232
_journal_page_last               4235
_journal_paper_doi               10.1039/c9cc09852f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C21 H23 N10 O19 U2'
_chemical_formula_weight         1195.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-11-25 deposited with the CCDC.	2020-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                88.974(5)
_cell_angle_beta                 72.739(5)
_cell_angle_gamma                85.516(5)
_cell_formula_units_Z            2
_cell_length_a                   11.520(5)
_cell_length_b                   12.224(5)
_cell_length_c                   12.375(5)
_cell_measurement_reflns_used    9216
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.56
_cell_measurement_theta_min      2.40
_cell_volume                     1659.1(12)
_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-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            66011
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.587
_diffrn_reflns_theta_min         1.671
_exptl_absorpt_coefficient_mu    9.845
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.4236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXScale'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             1110
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.140
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.874
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         11017
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.874
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0295
_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)+(0.0566P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0793
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8552
_reflns_number_total             11017
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc09852f2.cif
_cod_data_source_block           UO2bpyC2mim
_cod_depositor_comments
'Adding full bibliography for 7126194--7126200.cif.'
_cod_original_cell_volume        1659.0(12)
_cod_database_code               7126200
_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           2013-4
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.92210(2) -0.04192(2) 0.31629(2) 0.01803(4) Uani 1 1 d . . . . .
U2 U 0.71090(2) 0.42855(2) 0.03917(2) 0.01751(4) Uani 1 1 d . . . . .
O7 O 0.9023(3) 0.1734(2) 0.3364(3) 0.0290(7) Uani 1 1 d . . . . .
O1 O 0.9482(3) -0.1030(2) 0.1818(3) 0.0263(6) Uani 1 1 d . . . . .
N8 N 0.7050(3) 0.6373(2) 0.0526(3) 0.0211(7) Uani 1 1 d . . . . .
O12 O 0.8708(3) 0.4079(2) -0.0123(3) 0.0253(6) Uani 1 1 d . . . . .
N9 N 0.6966(3) 1.2215(2) 0.0355(3) 0.0194(6) Uani 1 1 d . . . . .
O18 O 0.6988(3) 0.3303(2) 0.2211(2) 0.0239(6) Uani 1 1 d . . . . .
O10 O 1.1349(3) -0.1248(2) 0.3020(3) 0.0300(7) Uani 1 1 d . . . . .
O4 O 0.7163(3) 0.0367(2) 0.3148(3) 0.0272(6) Uani 1 1 d . . . . .
O14 O 0.6891(3) 0.3579(2) -0.1407(3) 0.0291(7) Uani 1 1 d . . . . .
O2 O 0.8892(3) -0.0073(2) 0.4610(2) 0.0246(6) Uani 1 1 d . . . . .
O17 O 0.7379(3) 0.5003(2) 0.2176(3) 0.0284(7) Uani 1 1 d . . . . .
O6 O 0.9406(3) 0.1173(2) 0.1650(3) 0.0269(6) Uani 1 1 d . . . . .
O13 O 0.5504(3) 0.4480(2) 0.0927(3) 0.0238(6) Uani 1 1 d . . . . .
O9 O 1.1221(3) 0.0456(2) 0.2571(3) 0.0301(7) Uani 1 1 d . . . . .
O19 O 0.7325(3) 0.4029(2) 0.3680(3) 0.0327(7) Uani 1 1 d . . . . .
O8 O 0.9582(3) 0.2892(2) 0.1981(3) 0.0341(8) Uani 1 1 d . . . . .
O15 O 0.7270(3) 0.5283(2) -0.1434(3) 0.0286(7) Uani 1 1 d . . . . .
O3 O 0.7235(3) -0.1326(2) 0.3678(3) 0.0301(7) Uani 1 1 d . . . . .
N4 N 0.9394(3) -0.2365(2) 0.3931(3) 0.0223(7) Uani 1 1 d . . . . .
N6 N 0.9341(3) 0.1966(3) 0.2318(3) 0.0238(7) Uani 1 1 d . . . . .
O11 O 1.3010(3) -0.0419(3) 0.2298(3) 0.0397(8) Uani 1 1 d . . . . .
C21 C 0.6974(4) 0.9908(3) 0.0472(3) 0.0181(7) Uani 1 1 d . . . . .
N7 N 1.1905(3) -0.0407(3) 0.2617(3) 0.0270(8) Uani 1 1 d . . . . .
O16 O 0.7026(4) 0.4538(3) -0.2936(3) 0.0504(10) Uani 1 1 d . . . . .
N11 N 0.7239(3) 0.4103(3) 0.2733(3) 0.0246(7) Uani 1 1 d . . . . .
O5 O 0.5506(3) -0.0507(3) 0.3588(3) 0.0451(9) Uani 1 1 d . . . . .
C16 C 0.6992(4) 0.8686(3) 0.0531(3) 0.0182(7) Uani 1 1 d . . . . .
N5 N 0.6597(3) -0.0491(3) 0.3479(3) 0.0261(7) Uani 1 1 d . . . . .
C23 C 0.8008(4) 1.1558(3) -0.0012(3) 0.0215(8) Uani 1 1 d . . . . .
H23A H 0.8753 1.1891 -0.0319 0.026 Uiso 1 1 calc R U . . .
C22 C 0.8040(4) 1.0423(3) 0.0038(4) 0.0218(8) Uani 1 1 d . . . . .
H22A H 0.8797 0.9999 -0.0227 0.026 Uiso 1 1 calc R U . . .
N10 N 0.7067(4) 0.4473(3) -0.1972(3) 0.0296(8) Uani 1 1 d . . . . .
C14 C 0.6007(4) 0.6994(3) 0.0940(4) 0.0273(9) Uani 1 1 d . . . . .
H14A H 0.5275 0.6638 0.1230 0.033 Uiso 1 1 calc R U . . .
C15 C 0.5940(4) 0.8134(3) 0.0966(4) 0.0277(9) Uani 1 1 d . . . . .
H15A H 0.5178 0.8537 0.1280 0.033 Uiso 1 1 calc R U . . .
C17 C 0.8075(4) 0.8026(3) 0.0119(4) 0.0284(9) Uani 1 1 d . . . . .
H17A H 0.8824 0.8357 -0.0170 0.034 Uiso 1 1 calc R U . . .
C20 C 0.5883(4) 1.0582(3) 0.0845(4) 0.0234(8) Uani 1 1 d . . . . .
H20A H 0.5124 1.0269 0.1141 0.028 Uiso 1 1 calc R U . . .
C9 C 0.9680(5) -0.2486(3) 0.4902(4) 0.0323(10) Uani 1 1 d . . . . .
H9A H 0.9719 -0.1844 0.5308 0.039 Uiso 1 1 calc R U . . .
N1 N 0.5641(4) -0.2989(3) 0.5562(4) 0.0347(9) Uani 1 1 d . . . . .
N3 N 0.4359(4) -0.2656(3) 0.4611(3) 0.0316(8) Uani 1 1 d . . . . .
C19 C 0.5936(4) 1.1710(3) 0.0774(4) 0.0266(9) Uani 1 1 d . . . . .
H19A H 0.5194 1.2155 0.1039 0.032 Uiso 1 1 calc R U . . .
C11 C 0.9874(4) -0.4445(3) 0.4767(4) 0.0212(8) Uani 1 1 d . . . . .
C18 C 0.8068(4) 0.6898(3) 0.0128(4) 0.0286(10) Uani 1 1 d . . . . .
H18A H 0.8821 0.6474 -0.0163 0.034 Uiso 1 1 calc R U . . .
C2 C 0.4655(4) -0.2369(4) 0.5497(4) 0.0326(10) Uani 1 1 d . . . . .
H2A H 0.4235 -0.1805 0.6017 0.039 Uiso 1 1 calc R U . . .
C13 C 0.9347(5) -0.3275(3) 0.3369(4) 0.0319(10) Uani 1 1 d . . . . .
H13A H 0.9149 -0.3206 0.2677 0.038 Uiso 1 1 calc R U . . .
C12 C 0.9579(5) -0.4325(3) 0.3759(4) 0.0328(11) Uani 1 1 d . . . . .
H12A H 0.9535 -0.4954 0.3337 0.039 Uiso 1 1 calc R U . . .
C10 C 0.9918(5) -0.3490(3) 0.5341(4) 0.0335(11) Uani 1 1 d . . . . .
H10A H 1.0113 -0.3531 0.6035 0.040 Uiso 1 1 calc R U . . .
C6 C 0.6256(6) -0.2954(4) 0.6447(5) 0.0454(13) Uani 1 1 d . . . . .
H6A H 0.7012 -0.3447 0.6229 0.055 Uiso 1 1 calc R U . . .
H6B H 0.5718 -0.3226 0.7165 0.055 Uiso 1 1 calc R U . . .
C7 C 0.6566(5) -0.1824(4) 0.6627(5) 0.0449(13) Uani 1 1 d . . . . .
H7A H 0.6983 -0.1838 0.7213 0.067 Uiso 1 1 calc R U . . .
H7B H 0.5817 -0.1337 0.6869 0.067 Uiso 1 1 calc R U . . .
H7C H 0.7103 -0.1553 0.5919 0.067 Uiso 1 1 calc R U . . .
C4 C 0.5181(5) -0.3486(4) 0.4059(5) 0.0440(13) Uani 1 1 d . . . . .
H4A H 0.5187 -0.3853 0.3387 0.053 Uiso 1 1 calc R U . . .
C8 C 0.3320(5) -0.2192(4) 0.4251(5) 0.0433(13) Uani 1 1 d . . . . .
H8A H 0.3062 -0.1457 0.4578 0.065 Uiso 1 1 calc R U . . .
H8B H 0.2643 -0.2665 0.4512 0.065 Uiso 1 1 calc R U . . .
H8C H 0.3560 -0.2146 0.3424 0.065 Uiso 1 1 calc R U . . .
C5 C 0.5975(5) -0.3676(4) 0.4655(5) 0.0470(14) Uani 1 1 d . . . . .
H5A H 0.6657 -0.4203 0.4473 0.056 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'
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
O2 U1 O1 168.58(13) . . ?
O2 U1 O4 90.80(12) . . ?
O1 U1 O4 91.28(12) . . ?
O2 U1 O9 94.55(13) . . ?
O1 U1 O9 92.84(13) . . ?
O4 U1 O9 129.05(9) . . ?
O2 U1 O3 87.69(12) . . ?
O1 U1 O3 84.90(13) . . ?
O4 U1 O3 51.05(9) . . ?
O9 U1 O3 177.75(11) . . ?
O2 U1 O10 93.52(12) . . ?
O1 U1 O10 84.52(13) . . ?
O4 U1 O10 175.67(10) . . ?
O9 U1 O10 50.38(9) . . ?
O3 U1 O10 129.29(9) . . ?
O2 U1 N4 82.04(12) . . ?
O1 U1 N4 87.05(12) . . ?
O4 U1 N4 117.75(10) . . ?
O9 U1 N4 113.16(10) . . ?
O3 U1 N4 66.86(10) . . ?
O10 U1 N4 63.17(10) . . ?
O2 U1 O7 71.27(10) . . ?
O1 U1 O7 119.86(11) . . ?
O4 U1 O7 68.64(10) . . ?
O9 U1 O7 65.49(10) . . ?
O3 U1 O7 115.60(10) . . ?
O10 U1 O7 112.62(10) . . ?
N4 U1 O7 152.86(11) . . ?
O2 U1 O6 119.19(11) . . ?
O1 U1 O6 71.97(11) . . ?
O4 U1 O6 69.29(9) . . ?
O9 U1 O6 64.03(9) . . ?
O3 U1 O6 115.04(9) . . ?
O10 U1 O6 108.27(9) . . ?
N4 U1 O6 158.35(11) . . ?
O7 U1 O6 47.92(9) . . ?
O2 U1 N5 89.32(12) . . ?
O1 U1 N5 87.74(12) . . ?
O4 U1 N5 25.49(9) . . ?
O9 U1 N5 154.47(9) . . ?
O3 U1 N5 25.56(9) . . ?
O10 U1 N5 154.62(9) . . ?
N4 U1 N5 92.36(10) . . ?
O7 U1 N5 92.18(10) . . ?
O6 U1 N5 92.11(9) . . ?
O2 U1 N7 96.14(12) . . ?
O1 U1 N7 86.88(13) . . ?
O4 U1 N7 153.77(9) . . ?
O9 U1 N7 25.31(9) . . ?
O3 U1 N7 154.16(9) . . ?
O10 U1 N7 25.18(9) . . ?
N4 U1 N7 88.30(10) . . ?
O7 U1 N7 89.68(10) . . ?
O6 U1 N7 85.34(9) . . ?
N5 U1 N7 174.54(10) . . ?
O12 U2 O13 179.09(13) . . ?
O12 U2 O14 91.26(13) . . ?
O13 U2 O14 89.25(13) . . ?
O12 U2 O18 93.85(12) . . ?
O13 U2 O18 85.24(11) . . ?
O14 U2 O18 129.52(9) . . ?
O12 U2 O17 87.47(13) . . ?
O13 U2 O17 92.02(12) . . ?
O14 U2 O17 178.67(10) . . ?
O18 U2 O17 51.05(9) . . ?
O12 U2 O15 85.21(12) . . ?
O13 U2 O15 95.70(12) . . ?
O14 U2 O15 51.14(9) . . ?
O18 U2 O15 178.89(10) . . ?
O17 U2 O15 128.26(9) . . ?
O12 U2 N9 89.50(12) . 1_545 ?
O13 U2 N9 90.03(11) . 1_545 ?
O14 U2 N9 65.80(10) . 1_545 ?
O18 U2 N9 64.08(10) . 1_545 ?
O17 U2 N9 114.60(10) . 1_545 ?
O15 U2 N9 116.46(10) . 1_545 ?
O12 U2 N8 95.52(12) . . ?
O13 U2 N8 84.94(11) . . ?
O14 U2 N8 114.88(10) . . ?
O18 U2 N8 114.51(10) . . ?
O17 U2 N8 64.85(10) . . ?
O15 U2 N8 65.04(10) . . ?
N9 U2 N8 174.90(11) 1_545 . ?
O12 U2 N10 88.13(13) . . ?
O13 U2 N10 92.66(12) . . ?
O14 U2 N10 25.63(9) . . ?
O18 U2 N10 155.15(9) . . ?
O17 U2 N10 153.77(9) . . ?
O15 U2 N10 25.51(9) . . ?
N9 U2 N10 91.20(10) 1_545 . ?
N8 U2 N10 89.88(10) . . ?
O12 U2 N11 90.02(12) . . ?
O13 U2 N11 89.20(12) . . ?
O14 U2 N11 154.94(9) . . ?
O18 U2 N11 25.49(8) . . ?
O17 U2 N11 25.58(8) . . ?
O15 U2 N11 153.79(9) . . ?
N9 U2 N11 89.19(10) 1_545 . ?
N8 U2 N11 89.89(10) . . ?
N10 U2 N11 178.10(10) . . ?
N6 O7 U1 98.0(2) . . ?
C18 N8 C14 117.0(3) . . ?
C18 N8 U2 120.8(3) . . ?
C14 N8 U2 122.1(3) . . ?
C19 N9 C23 116.4(3) . . ?
C19 N9 U2 124.6(3) . 1_565 ?
C23 N9 U2 118.7(2) . 1_565 ?
N11 O18 U2 97.1(2) . . ?
N7 O10 U1 96.6(2) . . ?
N5 O4 U1 97.2(2) . . ?
N10 O14 U2 97.4(2) . . ?
N11 O17 U2 97.1(2) . . ?
N6 O6 U1 97.2(2) . . ?
N7 O9 U1 97.2(2) . . ?
N10 O15 U2 96.5(2) . . ?
N5 O3 U1 95.7(2) . . ?
C9 N4 C13 117.5(3) . . ?
C9 N4 U1 117.9(3) . . ?
C13 N4 U1 124.2(3) . . ?
O8 N6 O6 122.5(4) . . ?
O8 N6 O7 121.9(4) . . ?
O6 N6 O7 115.6(3) . . ?
C22 C21 C20 117.2(3) . . ?
C22 C21 C16 120.9(3) . . ?
C20 C21 C16 121.9(3) . . ?
O11 N7 O10 122.5(3) . . ?
O11 N7 O9 122.2(4) . . ?
O10 N7 O9 115.3(3) . . ?
O11 N7 U1 174.5(3) . . ?
O10 N7 U1 58.2(2) . . ?
O9 N7 U1 57.5(2) . . ?
O19 N11 O18 123.1(3) . . ?
O19 N11 O17 122.2(3) . . ?
O18 N11 O17 114.7(3) . . ?
O19 N11 U2 178.2(3) . . ?
O18 N11 U2 57.41(18) . . ?
O17 N11 U2 57.34(19) . . ?
C15 C16 C17 115.9(3) . . ?
C15 C16 C21 122.7(3) . . ?
C17 C16 C21 121.3(3) . . ?
O5 N5 O4 121.6(3) . . ?
O5 N5 O3 122.4(4) . . ?
O4 N5 O3 116.1(3) . . ?
O5 N5 U1 178.5(3) . . ?
O4 N5 U1 57.28(19) . . ?
O3 N5 U1 58.8(2) . . ?
N9 C23 C22 123.2(4) . . ?
C23 C22 C21 120.1(4) . . ?
O16 N10 O15 123.1(4) . . ?
O16 N10 O14 122.0(4) . . ?
O15 N10 O14 115.0(3) . . ?
O16 N10 U2 178.5(3) . . ?
O15 N10 U2 57.99(19) . . ?
O14 N10 U2 57.0(2) . . ?
N8 C14 C15 123.3(4) . . ?
C16 C15 C14 120.0(4) . . ?
C18 C17 C16 120.6(4) . . ?
C21 C20 C19 118.8(4) . . ?
N4 C9 C10 123.3(4) . . ?
C2 N1 C5 107.0(5) . . ?
C2 N1 C6 127.3(4) . . ?
C5 N1 C6 125.7(4) . . ?
C2 N3 C4 108.5(4) . . ?
C2 N3 C8 126.7(4) . . ?
C4 N3 C8 124.8(4) . . ?
N9 C19 C20 124.3(4) . . ?
C10 C11 C12 117.0(3) . . ?
C10 C11 C11 120.9(5) . 2_746 ?
C12 C11 C11 122.1(4) . 2_746 ?
N8 C18 C17 123.1(4) . . ?
N3 C2 N1 109.6(4) . . ?
N4 C13 C12 122.5(4) . . ?
C11 C12 C13 119.7(4) . . ?
C11 C10 C9 119.9(4) . . ?
N1 C6 C7 112.1(4) . . ?
C5 C4 N3 106.5(5) . . ?
C4 C5 N1 108.4(5) . . ?
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 O2 1.769(3) . ?
U1 O1 1.769(3) . ?
U1 O4 2.492(3) . ?
U1 O9 2.519(3) . ?
U1 O3 2.525(3) . ?
U1 O10 2.535(3) . ?
U1 N4 2.561(3) . ?
U1 O7 2.634(3) . ?
U1 O6 2.652(3) . ?
U1 N5 2.939(4) . ?
U1 N7 2.964(4) . ?
U2 O12 1.761(3) . ?
U2 O13 1.767(3) . ?
U2 O14 2.489(3) . ?
U2 O18 2.504(3) . ?
U2 O17 2.502(3) . ?
U2 O15 2.512(3) . ?
U2 N9 2.551(3) 1_545 ?
U2 N8 2.555(3) . ?
U2 N10 2.944(4) . ?
U2 N11 2.949(4) . ?
O7 N6 1.269(4) . ?
N8 C18 1.339(5) . ?
N8 C14 1.337(5) . ?
N9 C19 1.340(5) . ?
N9 C23 1.352(5) . ?
N9 U2 2.551(3) 1_565 ?
O18 N11 1.279(4) . ?
O10 N7 1.269(4) . ?
O4 N5 1.275(4) . ?
O14 N10 1.284(4) . ?
O17 N11 1.283(4) . ?
O6 N6 1.269(4) . ?
O9 N7 1.277(4) . ?
O19 N11 1.206(4) . ?
O8 N6 1.223(4) . ?
O15 N10 1.276(5) . ?
O3 N5 1.274(4) . ?
N4 C9 1.340(5) . ?
N4 C13 1.335(5) . ?
O11 N7 1.214(5) . ?
C21 C22 1.382(5) . ?
C21 C20 1.406(5) . ?
C21 C16 1.494(5) . ?
O16 N10 1.209(5) . ?
O5 N5 1.226(5) . ?
C16 C15 1.393(6) . ?
C16 C17 1.396(5) . ?
C23 C22 1.386(5) . ?
C14 C15 1.390(5) . ?
C17 C18 1.379(5) . ?
C20 C19 1.386(5) . ?
C9 C10 1.375(5) . ?
N1 C2 1.338(6) . ?
N1 C5 1.357(7) . ?
N1 C6 1.472(7) . ?
N3 C2 1.302(6) . ?
N3 C4 1.373(6) . ?
N3 C8 1.467(6) . ?
C11 C10 1.389(6) . ?
C11 C12 1.389(6) . ?
C11 C11 1.505(7) 2_746 ?
C13 C12 1.397(5) . ?
C6 C7 1.490(8) . ?
C4 C5 1.340(8) . ?
