#------------------------------------------------------------------------------
#$Date: 2019-11-20 12:20:29 +0200 (Wed, 20 Nov 2019) $
#$Revision: 231085 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/59/4345999.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_4345999
loop_
_publ_author_name
'Andrew J. Gaunt'
'Brian L. Scott'
'Mary P. Neu'
_publ_section_title
;
 U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by
 Dichalcogenides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7401
_journal_page_last               7407
_journal_paper_doi               10.1021/ic060560k
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C108 H100 N12 Se12 U4'
_chemical_formula_weight         3465.64
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.5500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.362(2)
_cell_length_b                   12.5300(9)
_cell_length_c                   31.388(2)
_cell_measurement_temperature    141(2)
_cell_volume                     10740.6(13)
_computing_cell_refinement       'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_data_collection       'APEX II, v. 1.08 (Bruker AXS, 2003)'
_computing_data_reduction        'SAINT+, v. 7.06 (Bruker AXS, 2001)'
_computing_molecular_graphics    'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_publication_material  'SHELXTL, v. 6.10, (Bruker AXS, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      141(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       'ω scans'
_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  0.0833
_diffrn_reflns_av_sigmaI/netI    0.0633
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            51082
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.86
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        '< 2'
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.132
_exptl_absorpt_correction_T_max  0.8230
_exptl_absorpt_correction_T_min  0.3312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v 2.03 (Sheldrick, 2001)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    2.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             6432
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         10326
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0277P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0640
_reflns_number_gt                7600
_reflns_number_total             10326
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060560ksi20060614_012839.cif
_cod_data_source_block           apx144
_cod_original_cell_volume        10740.8(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4345999
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.503419(8) 0.126926(18) 0.177268(8) 0.01204(6) Uani 1 1 d . . .
U2 U 0.414945(8) 0.316694(18) 0.217417(8) 0.01229(6) Uani 1 1 d . . .
Se1 Se 0.50082(2) 0.34428(5) 0.19594(2) 0.01298(14) Uani 1 1 d . . .
Se2 Se 0.43791(2) 0.09797(5) 0.22758(2) 0.01221(13) Uani 1 1 d . . .
Se3 Se 0.40329(2) 0.23677(5) 0.12326(2) 0.01462(14) Uani 1 1 d . . .
Se4 Se 0.60813(2) 0.20593(5) 0.20564(2) 0.01397(14) Uani 1 1 d . . .
Se5 Se 0.54939(2) -0.07776(5) 0.17385(2) 0.01586(14) Uani 1 1 d . . .
Se6 Se 0.39278(2) 0.52071(5) 0.16811(2) 0.01717(15) Uani 1 1 d . . .
N1 N 0.51529(18) 0.1809(4) 0.10072(17) 0.0162(12) Uani 1 1 d . . .
N2 N 0.44639(17) -0.0253(4) 0.13001(17) 0.0151(12) Uani 1 1 d . . .
N3 N 0.38480(17) 0.4697(4) 0.25596(16) 0.0130(11) Uani 1 1 d . . .
N4 N 0.32166(18) 0.2659(4) 0.17787(17) 0.0153(12) Uani 1 1 d . . .
N5 N 0.1825(2) 0.6092(5) 0.0554(2) 0.0379(16) Uani 1 1 d . . .
N6 N 0.6011(2) 0.7020(5) 0.0618(2) 0.0411(17) Uani 1 1 d . . .
C1 C 0.3479(2) 0.1446(5) 0.0941(2) 0.0172(14) Uani 1 1 d . . .
C2 C 0.3383(2) 0.0525(5) 0.1139(2) 0.0192(15) Uani 1 1 d . . .
H2 H 0.3583 0.0340 0.1436 0.023 Uiso 1 1 calc R . .
C3 C 0.2987(2) -0.0123(5) 0.0895(3) 0.0287(18) Uani 1 1 d . . .
H3 H 0.2925 -0.0739 0.1030 0.034 Uiso 1 1 calc R . .
C4 C 0.2688(3) 0.0138(6) 0.0459(2) 0.0334(19) Uani 1 1 d . . .
H4 H 0.2428 -0.0307 0.0297 0.040 Uiso 1 1 calc R . .
C5 C 0.2770(2) 0.1052(6) 0.0258(3) 0.0341(19) Uani 1 1 d . . .
H5 H 0.2564 0.1233 -0.0038 0.041 Uiso 1 1 calc R . .
C6 C 0.3165(2) 0.1713(5) 0.0498(2) 0.0257(16) Uani 1 1 d . . .
H6 H 0.3218 0.2336 0.0362 0.031 Uiso 1 1 calc R . .
C7 C 0.6231(2) 0.3011(5) 0.1642(2) 0.0156(14) Uani 1 1 d . . .
C8 C 0.6663(2) 0.2818(5) 0.1565(2) 0.0204(15) Uani 1 1 d . . .
H8 H 0.6861 0.2243 0.1708 0.024 Uiso 1 1 calc R . .
C9 C 0.6801(2) 0.3480(5) 0.1276(2) 0.0248(17) Uani 1 1 d . . .
H9 H 0.7089 0.3344 0.1226 0.030 Uiso 1 1 calc R . .
C10 C 0.6509(2) 0.4344(5) 0.1064(2) 0.0247(16) Uani 1 1 d . . .
H10 H 0.6601 0.4794 0.0874 0.030 Uiso 1 1 calc R . .
C11 C 0.6082(2) 0.4527(5) 0.1138(2) 0.0208(15) Uani 1 1 d . . .
H11 H 0.5884 0.5101 0.0994 0.025 Uiso 1 1 calc R . .
C12 C 0.5940(2) 0.3874(5) 0.1422(2) 0.0204(15) Uani 1 1 d . . .
H12 H 0.5650 0.4011 0.1467 0.024 Uiso 1 1 calc R . .
C13 C 0.6186(2) -0.0829(5) 0.2086(2) 0.0175(15) Uani 1 1 d . . .
C14 C 0.6519(2) -0.0707(5) 0.1871(2) 0.0234(16) Uani 1 1 d . . .
H14 H 0.6408 -0.0522 0.1563 0.028 Uiso 1 1 calc R . .
C15 C 0.7013(2) -0.0857(5) 0.2108(2) 0.0271(17) Uani 1 1 d . . .
H15 H 0.7231 -0.0777 0.1958 0.033 Uiso 1 1 calc R . .
C16 C 0.7187(2) -0.1124(5) 0.2566(2) 0.0251(16) Uani 1 1 d . . .
H16 H 0.7521 -0.1218 0.2728 0.030 Uiso 1 1 calc R . .
C17 C 0.6857(2) -0.1246(5) 0.2779(2) 0.0250(16) Uani 1 1 d . . .
H17 H 0.6971 -0.1436 0.3087 0.030 Uiso 1 1 calc R . .
C18 C 0.6362(2) -0.1097(5) 0.2551(2) 0.0222(16) Uani 1 1 d . . .
H18 H 0.6147 -0.1173 0.2704 0.027 Uiso 1 1 calc R . .
C19 C 0.4929(2) 0.2636(5) 0.0738(2) 0.0183(15) Uani 1 1 d . . .
H19 H 0.4670 0.2966 0.0790 0.022 Uiso 1 1 calc R . .
C20 C 0.5062(2) 0.3021(5) 0.0389(2) 0.0209(15) Uani 1 1 d . . .
H20 H 0.4891 0.3585 0.0208 0.025 Uiso 1 1 calc R . .
C21 C 0.5449(2) 0.2561(5) 0.0312(2) 0.0227(16) Uani 1 1 d . . .
H21 H 0.5546 0.2811 0.0080 0.027 Uiso 1 1 calc R . .
C22 C 0.5691(2) 0.1728(5) 0.0585(2) 0.0218(15) Uani 1 1 d . . .
H22 H 0.5959 0.1415 0.0545 0.026 Uiso 1 1 calc R . .
C23 C 0.5528(2) 0.1359(5) 0.0921(2) 0.0239(16) Uani 1 1 d . . .
H23 H 0.5685 0.0774 0.1096 0.029 Uiso 1 1 calc R . .
C24 C 0.4308(2) -0.0258(5) 0.0840(2) 0.0182(15) Uani 1 1 d . . .
H24 H 0.4374 0.0334 0.0693 0.022 Uiso 1 1 calc R . .
C25 C 0.4055(2) -0.1108(5) 0.0575(2) 0.0220(16) Uani 1 1 d . . .
H25 H 0.3945 -0.1079 0.0257 0.026 Uiso 1 1 calc R . .
C26 C 0.3971(2) -0.1993(5) 0.0792(2) 0.0239(16) Uani 1 1 d . . .
H26 H 0.3814 -0.2587 0.0624 0.029 Uiso 1 1 calc R . .
C27 C 0.4119(2) -0.1992(5) 0.1258(2) 0.0202(15) Uani 1 1 d . . .
H27 H 0.4057 -0.2579 0.1410 0.024 Uiso 1 1 calc R . .
C28 C 0.4362(2) -0.1118(5) 0.1503(2) 0.0175(15) Uani 1 1 d . . .
H28 H 0.4459 -0.1126 0.1821 0.021 Uiso 1 1 calc R . .
C29 C 0.4031(2) 0.5188(5) 0.1109(2) 0.0164(14) Uani 1 1 d . . .
C30 C 0.4492(2) 0.5419(5) 0.1100(2) 0.0217(16) Uani 1 1 d . . .
H30 H 0.4754 0.5556 0.1371 0.026 Uiso 1 1 calc R . .
C31 C 0.4556(3) 0.5443(5) 0.0684(2) 0.0243(16) Uani 1 1 d . . .
H31 H 0.4863 0.5604 0.0679 0.029 Uiso 1 1 calc R . .
C32 C 0.4174(3) 0.5233(5) 0.0277(2) 0.0289(17) Uani 1 1 d . . .
H32 H 0.4223 0.5238 0.0000 0.035 Uiso 1 1 calc R . .
C33 C 0.3715(3) 0.5015(5) 0.0288(2) 0.0278(17) Uani 1 1 d . . .
H33 H 0.3453 0.4884 0.0016 0.033 Uiso 1 1 calc R . .
C34 C 0.3643(2) 0.4988(5) 0.0696(2) 0.0213(15) Uani 1 1 d . . .
H34 H 0.3333 0.4837 0.0698 0.026 Uiso 1 1 calc R . .
C35 C 0.4144(2) 0.5527(5) 0.2762(2) 0.0182(15) Uani 1 1 d . . .
H35 H 0.4466 0.5513 0.2777 0.022 Uiso 1 1 calc R . .
C36 C 0.3991(2) 0.6387(5) 0.2945(2) 0.0177(14) Uani 1 1 d . . .
H36 H 0.4209 0.6931 0.3090 0.021 Uiso 1 1 calc R . .
C37 C 0.3512(2) 0.6431(5) 0.2910(2) 0.0243(16) Uani 1 1 d . . .
H37 H 0.3400 0.7012 0.3029 0.029 Uiso 1 1 calc R . .
C38 C 0.3199(2) 0.5611(5) 0.2700(2) 0.0194(15) Uani 1 1 d . . .
H38 H 0.2871 0.5632 0.2667 0.023 Uiso 1 1 calc R . .
C39 C 0.3386(2) 0.4753(5) 0.2538(2) 0.0186(15) Uani 1 1 d . . .
H39 H 0.3178 0.4185 0.2407 0.022 Uiso 1 1 calc R . .
C40 C 0.3033(2) 0.1736(5) 0.1867(2) 0.0215(15) Uani 1 1 d . . .
H40 H 0.3236 0.1306 0.2102 0.026 Uiso 1 1 calc R . .
C41 C 0.2563(2) 0.1395(5) 0.1630(2) 0.0231(16) Uani 1 1 d . . .
H41 H 0.2455 0.0749 0.1704 0.028 Uiso 1 1 calc R . .
C42 C 0.2255(2) 0.2010(5) 0.1284(2) 0.0264(17) Uani 1 1 d . . .
H42 H 0.1933 0.1804 0.1126 0.032 Uiso 1 1 calc R . .
C43 C 0.2436(2) 0.2940(5) 0.1176(2) 0.0261(17) Uani 1 1 d . . .
H43 H 0.2240 0.3370 0.0938 0.031 Uiso 1 1 calc R . .
C44 C 0.2915(2) 0.3228(5) 0.1428(2) 0.0227(16) Uani 1 1 d . . .
H44 H 0.3034 0.3854 0.1348 0.027 Uiso 1 1 calc R . .
C45 C 0.2086(3) 0.6698(7) 0.0379(3) 0.050(2) Uani 1 1 d . . .
H45 H 0.1939 0.6930 0.0078 0.060 Uiso 1 1 calc R . .
C46 C 0.2557(3) 0.6996(7) 0.0619(3) 0.044(2) Uani 1 1 d . . .
H46 H 0.2723 0.7424 0.0482 0.053 Uiso 1 1 calc R . .
C47 C 0.2782(3) 0.6672(5) 0.1054(2) 0.0307(18) Uani 1 1 d . . .
H47 H 0.3105 0.6861 0.1219 0.037 Uiso 1 1 calc R . .
C48 C 0.2523(3) 0.6054(6) 0.1249(3) 0.040(2) Uani 1 1 d . . .
H48 H 0.2665 0.5825 0.1551 0.048 Uiso 1 1 calc R . .
C49 C 0.2049(3) 0.5783(6) 0.0985(3) 0.042(2) Uani 1 1 d . . .
H49 H 0.1876 0.5360 0.1116 0.050 Uiso 1 1 calc R . .
C50 C 0.5701(3) 0.7581(6) 0.0744(2) 0.039(2) Uani 1 1 d . . .
H50 H 0.5586 0.7277 0.0955 0.047 Uiso 1 1 calc R . .
C51 C 0.5538(3) 0.8582(6) 0.0584(2) 0.037(2) Uani 1 1 d . . .
H51 H 0.5314 0.8941 0.0678 0.044 Uiso 1 1 calc R . .
C52 C 0.5720(3) 0.9041(6) 0.0276(3) 0.037(2) Uani 1 1 d . . .
H52 H 0.5615 0.9715 0.0157 0.044 Uiso 1 1 calc R . .
C53 C 0.6048(3) 0.8512(5) 0.0152(2) 0.0336(19) Uani 1 1 d . . .
H53 H 0.6180 0.8820 -0.0046 0.040 Uiso 1 1 calc R . .
C54 C 0.6185(3) 0.7505(6) 0.0325(2) 0.039(2) Uani 1 1 d . . .
H54 H 0.6409 0.7137 0.0235 0.046 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
N N 0.0061 0.0033 '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
N2 U1 N1 86.65(15) . .
N2 U1 Se1 140.38(10) . .
N1 U1 Se1 87.94(11) . .
N2 U1 Se2 120.89(11) . 2_655
N1 U1 Se2 138.60(11) . 2_655
Se1 U1 Se2 87.544(18) . 2_655
N2 U1 Se5 63.00(10) . .
N1 U1 Se5 88.52(11) . .
Se1 U1 Se5 155.976(19) . .
Se2 U1 Se5 79.531(18) 2_655 .
N2 U1 Se2 78.72(10) . .
N1 U1 Se2 148.88(11) . .
Se1 U1 Se2 86.191(18) . .
Se2 U1 Se2 71.63(2) 2_655 .
Se5 U1 Se2 108.395(18) . .
N2 U1 Se4 140.72(10) . .
N1 U1 Se4 74.06(11) . .
Se1 U1 Se4 73.934(17) . .
Se2 U1 Se4 65.156(17) 2_655 .
Se5 U1 Se4 82.247(18) . .
Se2 U1 Se4 132.689(18) . .
N2 U1 Se3 74.58(10) . .
N1 U1 Se3 78.79(11) . .
Se1 U1 Se3 65.870(17) . .
Se2 U1 Se3 134.918(18) 2_655 .
Se5 U1 Se3 136.330(18) . .
Se2 U1 Se3 70.917(17) . .
Se4 U1 Se3 131.741(18) . .
N2 U1 U2 104.77(10) . .
N1 U1 U2 116.56(11) . .
Se1 U1 U2 44.919(13) . .
Se2 U1 U2 87.641(14) 2_655 .
Se5 U1 U2 152.345(14) . .
Se2 U1 U2 43.992(12) . .
Se4 U1 U2 114.434(14) . .
Se3 U1 U2 47.650(12) . .
N2 U1 U2 162.44(11) . 2_655
N1 U1 U2 110.79(10) . 2_655
Se1 U1 U2 46.525(13) . 2_655
Se2 U1 U2 43.794(13) 2_655 2_655
Se5 U1 U2 113.681(15) . 2_655
Se2 U1 U2 86.661(14) . 2_655
Se4 U1 U2 48.632(12) . 2_655
Se3 U1 U2 109.889(13) . 2_655
U2 U1 U2 69.960(8) . 2_655
N3 U2 N4 85.66(15) . .
N3 U2 Se2 140.99(10) . .
N4 U2 Se2 88.99(11) . .
N3 U2 Se1 120.19(10) . .
N4 U2 Se1 140.50(11) . .
Se2 U2 Se1 87.083(18) . .
N3 U2 Se6 63.51(10) . .
N4 U2 Se6 88.35(11) . .
Se2 U2 Se6 154.974(19) . .
Se1 U2 Se6 79.305(18) . .
N3 U2 Se1 78.30(11) . 2_655
N4 U2 Se1 146.84(11) . 2_655
Se2 U2 Se1 85.678(17) . 2_655
Se1 U2 Se1 71.92(2) . 2_655
Se6 U2 Se1 109.432(18) . 2_655
N3 U2 Se3 140.14(10) . .
N4 U2 Se3 74.60(10) . .
Se2 U2 Se3 73.977(17) . .
Se1 U2 Se3 66.549(17) . .
Se6 U2 Se3 81.333(18) . .
Se1 U2 Se3 134.190(18) 2_655 .
N3 U2 Se4 75.82(10) . 2_655
N4 U2 Se4 76.69(11) . 2_655
Se2 U2 Se4 65.360(17) . 2_655
Se1 U2 Se4 135.126(18) . 2_655
Se6 U2 Se4 137.603(18) . 2_655
Se1 U2 Se4 71.342(17) 2_655 2_655
Se3 U2 Se4 129.939(18) . 2_655
N3 U2 U1 161.51(11) . .
N4 U2 U1 112.71(10) . .
Se2 U2 U1 46.254(13) . .
Se1 U2 U1 43.590(13) . .
Se6 U2 U1 113.003(14) . .
Se1 U2 U1 86.512(14) 2_655 .
Se3 U2 U1 49.865(12) . .
Se4 U2 U1 109.367(14) 2_655 .
N3 U2 U1 104.70(10) . 2_655
N4 U2 U1 116.24(11) . 2_655
Se2 U2 U1 44.938(13) . 2_655
Se1 U2 U1 87.408(14) . 2_655
Se6 U2 U1 152.761(15) . 2_655
Se1 U2 U1 43.426(12) 2_655 2_655
Se3 U2 U1 115.041(14) . 2_655
Se4 U2 U1 47.925(13) 2_655 2_655
U1 U2 U1 69.837(8) . 2_655
U1 Se1 U2 91.491(18) . .
U1 Se1 U2 90.050(18) . 2_655
U2 Se1 U2 106.38(2) . 2_655
U2 Se2 U1 91.268(18) . 2_655
U2 Se2 U1 89.754(17) . .
U1 Se2 U1 106.48(2) 2_655 .
C1 Se3 U2 115.82(18) . .
C1 Se3 U1 117.08(18) . .
U2 Se3 U1 82.486(16) . .
C7 Se4 U1 117.41(18) . .
C7 Se4 U2 114.94(17) . 2_655
U1 Se4 U2 83.443(16) . 2_655
C13 Se5 U1 114.55(18) . .
C29 Se6 U2 113.57(17) . .
C19 N1 C23 116.2(5) . .
C19 N1 U1 124.9(4) . .
C23 N1 U1 117.7(4) . .
C24 N2 C28 117.2(5) . .
C24 N2 U1 120.5(4) . .
C28 N2 U1 121.8(4) . .
C39 N3 C35 116.6(5) . .
C39 N3 U2 122.1(4) . .
C35 N3 U2 121.1(4) . .
C44 N4 C40 115.7(5) . .
C44 N4 U2 121.2(4) . .
C40 N4 U2 122.4(4) . .
C49 N5 C45 116.2(7) . .
C50 N6 C54 116.1(7) . .
C2 C1 C6 118.4(6) . .
C2 C1 Se3 124.0(5) . .
C6 C1 Se3 117.5(5) . .
C1 C2 C3 120.2(6) . .
C4 C3 C2 120.7(7) . .
C5 C4 C3 120.2(7) . .
C4 C5 C6 119.9(7) . .
C5 C6 C1 120.6(6) . .
C12 C7 C8 118.6(6) . .
C12 C7 Se4 124.3(5) . .
C8 C7 Se4 117.1(5) . .
C9 C8 C7 120.6(6) . .
C8 C9 C10 120.0(6) . .
C11 C10 C9 119.3(6) . .
C10 C11 C12 121.3(6) . .
C11 C12 C7 120.3(6) . .
C14 C13 C18 118.6(6) . .
C14 C13 Se5 120.6(5) . .
C18 C13 Se5 120.4(5) . .
C15 C14 C13 120.9(6) . .
C16 C15 C14 120.7(7) . .
C17 C16 C15 118.5(6) . .
C16 C17 C18 122.0(6) . .
C17 C18 C13 119.3(6) . .
N1 C19 C20 123.6(6) . .
C21 C20 C19 119.2(6) . .
C22 C21 C20 118.8(6) . .
C21 C22 C23 119.0(6) . .
N1 C23 C22 123.2(6) . .
N2 C24 C25 123.0(6) . .
C26 C25 C24 118.4(6) . .
C27 C26 C25 119.2(6) . .
C26 C27 C28 119.7(6) . .
N2 C28 C27 122.4(6) . .
C30 C29 C34 119.0(6) . .
C30 C29 Se6 120.1(5) . .
C34 C29 Se6 120.9(5) . .
C31 C30 C29 119.5(6) . .
C32 C31 C30 121.5(6) . .
C31 C32 C33 118.6(6) . .
C34 C33 C32 120.9(7) . .
C33 C34 C29 120.5(6) . .
N3 C35 C36 123.2(6) . .
C37 C36 C35 118.8(6) . .
C36 C37 C38 119.5(6) . .
C37 C38 C39 118.2(6) . .
N3 C39 C38 123.6(6) . .
N4 C40 C41 123.6(6) . .
C42 C41 C40 119.6(6) . .
C41 C42 C43 118.1(6) . .
C42 C43 C44 118.9(6) . .
N4 C44 C43 123.9(6) . .
N5 C45 C46 123.3(7) . .
C47 C46 C45 120.0(8) . .
C46 C47 C48 118.5(7) . .
C49 C48 C47 118.2(7) . .
N5 C49 C48 123.8(7) . .
N6 C50 C51 124.4(7) . .
C50 C51 C52 117.5(7) . .
C53 C52 C51 120.0(7) . .
C52 C53 C54 118.4(7) . .
N6 C54 C53 123.6(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N2 2.611(5) .
U1 N1 2.640(5) .
U1 Se1 2.7928(6) .
U1 Se2 2.8704(7) 2_655
U1 Se5 2.9185(7) .
U1 Se2 2.9252(6) .
U1 Se4 3.0355(7) .
U1 Se3 3.1225(7) .
U1 U2 4.0491(4) .
U1 U2 4.0628(4) 2_655
U2 N3 2.590(5) .
U2 N4 2.636(5) .
U2 Se2 2.8124(6) .
U2 Se1 2.8601(6) .
U2 Se6 2.9349(7) .
U2 Se1 2.9482(6) 2_655
U2 Se3 3.0184(7) .
U2 Se4 3.0691(6) 2_655
U2 U1 4.0627(4) 2_655
Se1 U2 2.9482(6) 2_655
Se2 U1 2.8704(7) 2_655
Se3 C1 1.929(6) .
Se4 C7 1.932(6) .
Se4 U2 3.0691(6) 2_655
Se5 C13 1.923(6) .
Se6 C29 1.927(6) .
N1 C19 1.346(7) .
N1 C23 1.350(8) .
N2 C24 1.346(7) .
N2 C28 1.347(7) .
N3 C39 1.336(7) .
N3 C35 1.354(7) .
N4 C44 1.338(8) .
N4 C40 1.347(8) .
N5 C49 1.326(9) .
N5 C45 1.331(9) .
N6 C50 1.319(9) .
N6 C54 1.351(9) .
C1 C2 1.389(8) .
C1 C6 1.398(8) .
C2 C3 1.395(8) .
C3 C4 1.366(9) .
C4 C5 1.371(10) .
C5 C6 1.398(9) .
C7 C12 1.393(8) .
C7 C8 1.397(8) .
C8 C9 1.393(8) .
C9 C10 1.390(9) .
C10 C11 1.377(8) .
C11 C12 1.381(8) .
C13 C14 1.382(8) .
C13 C18 1.400(8) .
C14 C15 1.379(9) .
C15 C16 1.378(9) .
C16 C17 1.374(9) .
C17 C18 1.376(8) .
C19 C20 1.378(8) .
C20 C21 1.373(8) .
C21 C22 1.370(9) .
C22 C23 1.389(9) .
C24 C25 1.388(8) .
C25 C26 1.372(8) .
C26 C27 1.364(9) .
C27 C28 1.377(8) .
C29 C30 1.396(8) .
C29 C34 1.398(8) .
C30 C31 1.386(8) .
C31 C32 1.383(9) .
C32 C33 1.387(9) .
C33 C34 1.373(8) .
C35 C36 1.373(8) .
C36 C37 1.373(8) .
C37 C38 1.375(8) .
C38 C39 1.385(8) .
C40 C41 1.374(8) .
C41 C42 1.368(9) .
C42 C43 1.374(8) .
C43 C44 1.384(9) .
C45 C46 1.361(10) .
C46 C47 1.342(10) .
C47 C48 1.376(10) .
C48 C49 1.376(10) .
C50 C51 1.370(10) .
C51 C52 1.389(9) .
C52 C53 1.339(9) .
C53 C54 1.374(9) .
