#------------------------------------------------------------------------------
#$Date: 2015-08-08 04:40:17 +0300 (Sat, 08 Aug 2015) $
#$Revision: 153131 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/15/7221533.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_7221533
loop_
_publ_author_name
'Thangavelu, Sonia G.'
'Pope, Simon J. A.'
'Cahill, Christopher L.'
_publ_section_title
;
 Synthetic, structural, and luminescence study of uranyl coordination
 polymers containing chelating terpyridine and trispyridyltriazine ligands
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              6236
_journal_paper_doi               10.1039/C5CE00984G
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C54 H36 N12 O14 U2'
_chemical_formula_sum            'C54 H36 N12 O14 U2'
_chemical_formula_weight         1553.01
_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_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-05-14 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                106.548(2)
_cell_angle_beta                 101.601(2)
_cell_angle_gamma                101.362(2)
_cell_formula_units_Z            1
_cell_length_a                   7.9974(13)
_cell_length_b                   12.0617(19)
_cell_length_c                   14.965(2)
_cell_measurement_reflns_used    6874
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.11
_cell_measurement_theta_min      1.48
_cell_volume                     1304.9(3)
_computing_cell_refinement       'SAINT, Bruker-AXS'
_computing_data_collection       'APEX, Bruker-AXS'
_computing_data_reduction        'SAINT, Bruker-AXS'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'WINGX (Farrugia, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0601
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18691
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         29.105
_diffrn_reflns_theta_min         1.476
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker APEX CCD'
_exptl_absorpt_coefficient_mu    6.279
_exptl_absorpt_correction_T_max  0.4507
_exptl_absorpt_correction_T_min  0.2606
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, G. Sheldrick (1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.293
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.151
_refine_diff_density_max         4.379
_refine_diff_density_min         -2.368
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0774P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1231
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5711
_reflns_number_total             6874
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce00984g2.cif
_cod_data_source_block           compound6
_cod_depositor_comments
'Adding full bibliography for 7221528--7221534.cif.'
_cod_original_cell_volume        1304.9(4)
_cod_database_code               7221533
_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.
;
_shelx_estimated_absorpt_t_min   0.261
_shelx_estimated_absorpt_t_max   0.451
_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
U1 U 0.15102(3) 0.22102(2) 0.70394(2) 0.02916(9) Uani 1 1 d . .
O2 O 0.2779(7) 0.1448(5) 0.6399(4) 0.0435(11) Uani 1 1 d . .
O1 O 0.0281(6) 0.2911(4) 0.7745(4) 0.0407(11) Uani 1 1 d . .
N2 N 0.2126(7) 0.1265(4) 0.8379(3) 0.0289(10) Uani 1 1 d . .
N3 N -0.0517(7) 0.0088(4) 0.6764(3) 0.0292(11) Uani 1 1 d . .
N4 N 0.1344(7) -0.0253(5) 0.9048(4) 0.0314(11) Uani 1 1 d . .
O5 O 0.2521(7) 0.3941(4) 0.6713(4) 0.0448(12) Uani 1 1 d . .
C6 C 0.3424(8) 0.1861(5) 0.9213(4) 0.0272(12) Uani 1 1 d . .
O4 O -0.0623(6) 0.1869(4) 0.5697(4) 0.0428(12) Uani 1 1 d . .
O3 O -0.3248(8) 0.2014(6) 0.5942(5) 0.0654(18) Uani 1 1 d . .
N5 N 0.3730(7) 0.1471(5) 0.9962(4) 0.0327(11) Uani 1 1 d . .
C13 C 0.1111(8) 0.0226(5) 0.8344(4) 0.0262(11) Uani 1 1 d . .
O6 O 0.1992(10) 0.5429(5) 0.7798(4) 0.0637(17) Uani 1 1 d . .
C19 C -0.2048(9) 0.2257(6) 0.5598(5) 0.0390(15) Uani 1 1 d . .
N1 N 0.4410(7) 0.3251(5) 0.8444(4) 0.0306(11) Uani 1 1 d . .
C17 C -0.2989(9) -0.1591(6) 0.5783(5) 0.0428(16) Uani 1 1 d . .
H17 H -0.3869 -0.1971 0.5200 0.051 Uiso 1 1 calc R U
C15 C -0.1464(9) -0.1537(6) 0.7347(5) 0.0352(14) Uani 1 1 d . .
H15 H -0.1309 -0.1884 0.7827 0.042 Uiso 1 1 calc R U
C27 C -0.2826(12) 0.4654(7) 0.6282(6) 0.0506(19) Uani 1 1 d . .
H27A H -0.1842 0.4659 0.6772 0.076 Uiso 1 1 calc R U
H27B H -0.3900 0.4170 0.6320 0.076 Uiso 1 1 calc R U
H27C H -0.2913 0.5461 0.6382 0.076 Uiso 1 1 calc R U
C14 C -0.0345(8) -0.0438(5) 0.7461(4) 0.0275(12) Uani 1 1 d . .
C11 C 0.3504(11) -0.1026(7) 1.2095(5) 0.0463(18) Uani 1 1 d . .
H11 H 0.3610 -0.1362 1.2584 0.056 Uiso 1 1 calc R U
C2 C 0.7051(10) 0.4872(7) 0.9214(6) 0.0467(17) Uani 1 1 d . .
H2 H 0.7870 0.5509 0.9175 0.056 Uiso 1 1 calc R U
N6 N 0.1932(8) -0.1152(5) 1.0512(4) 0.0383(12) Uani 1 1 d . .
C12 C 0.2201(10) -0.1595(7) 1.1234(5) 0.0408(15) Uani 1 1 d . .
H12 H 0.1459 -0.2336 1.1150 0.049 Uiso 1 1 calc R U
C4 C 0.6056(9) 0.3618(6) 1.0074(5) 0.0377(14) Uani 1 1 d . .
H4 H 0.6179 0.3403 1.0628 0.045 Uiso 1 1 calc R U
C8 C 0.2993(9) -0.0078(6) 1.0648(4) 0.0330(13) Uani 1 1 d . .
C7 C 0.2655(8) 0.0409(5) 0.9843(4) 0.0298(12) Uani 1 1 d . .
C16 C -0.2833(9) -0.2106(6) 0.6487(5) 0.0432(16) Uani 1 1 d . .
H16 H -0.3630 -0.2829 0.6396 0.052 Uiso 1 1 calc R U
C25 C -0.2517(9) 0.4754(6) 0.4581(5) 0.0386(15) Uani 1 1 d . .
H25 H -0.2747 0.5500 0.4762 0.046 Uiso 1 1 calc R U
C9 C 0.4381(10) 0.0544(7) 1.1473(5) 0.0400(15) Uani 1 1 d . .
H9 H 0.5123 0.1275 1.1533 0.048 Uiso 1 1 calc R U
C5 C 0.4672(8) 0.2974(6) 0.9265(5) 0.0318(13) Uani 1 1 d . .
C1 C 0.5608(9) 0.4200(7) 0.8432(6) 0.0449(17) Uani 1 1 d . .
H1 H 0.5458 0.4411 0.7875 0.054 Uiso 1 1 calc R U
C20 C -0.2080(8) 0.3003(6) 0.4942(5) 0.0351(14) Uani 1 1 d . .
C18 C -0.1815(9) -0.0492(6) 0.5950(5) 0.0370(14) Uani 1 1 d . .
H18 H -0.1943 -0.0143 0.5469 0.044 Uiso 1 1 calc R U
C22 C -0.1749(10) 0.3246(6) 0.3441(5) 0.0437(16) Uani 1 1 d . .
H22 H -0.1508 0.2949 0.2849 0.052 Uiso 1 1 calc R U
C26 C -0.2528(9) 0.4096(6) 0.5213(5) 0.0398(15) Uani 1 1 d . .
C10 C 0.4650(12) 0.0057(8) 1.2215(5) 0.0494(19) Uani 1 1 d . .
H10 H 0.5578 0.0452 1.2776 0.059 Uiso 1 1 calc R U
C23 C 0.2174(9) 0.5674(6) 0.6309(5) 0.0366(14) Uani 1 1 d . .
C24 C 0.2221(10) 0.4992(6) 0.7003(5) 0.0427(17) Uani 1 1 d . .
C21 C -0.1681(10) 0.2600(6) 0.4079(5) 0.0414(16) Uani 1 1 d . .
H21 H -0.1361 0.1883 0.3916 0.050 Uiso 1 1 calc R U
C3 C 0.7264(9) 0.4594(6) 1.0049(5) 0.0419(16) Uani 1 1 d . .
H3 H 0.8207 0.5054 1.0590 0.050 Uiso 1 1 calc R U
OW1 O 0.9790(9) 0.6844(5) 0.8712(5) 0.0656(17) Uani 1 1 d . .
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
O1 U1 O2 175.37(19) . .
O1 U1 O4 90.2(2) . .
O2 U1 O4 93.1(2) . .
O1 U1 O5 90.8(2) . .
O2 U1 O5 92.9(2) . .
O4 U1 O5 81.01(18) . .
O1 U1 N2 83.38(19) . .
O2 U1 N2 91.99(19) . .
O4 U1 N2 137.68(17) . .
O5 U1 N2 140.59(17) . .
O1 U1 N1 91.3(2) . .
O2 U1 N1 86.7(2) . .
O4 U1 N1 160.14(18) . .
O5 U1 N1 79.17(17) . .
N2 U1 N1 62.12(16) . .
O1 U1 N3 91.2(2) . .
O2 U1 N3 86.4(2) . .
O4 U1 N3 76.66(16) . .
O5 U1 N3 157.59(17) . .
N2 U1 N3 61.78(15) . .
N1 U1 N3 123.09(15) . .
C13 N2 C6 115.2(5) . .
C13 N2 U1 123.4(4) . .
C6 N2 U1 121.2(4) . .
C18 N3 C14 117.6(5) . .
C18 N3 U1 120.7(4) . .
C14 N3 U1 121.7(4) . .
C7 N4 C13 115.5(5) . .
C24 O5 U1 130.6(5) . .
N5 C6 N2 124.5(5) . .
N5 C6 C5 117.8(5) . .
N2 C6 C5 117.5(5) . .
C19 O4 U1 129.2(5) . .
C6 N5 C7 115.4(5) . .
N2 C13 N4 124.6(5) . .
N2 C13 C14 117.0(5) . .
N4 C13 C14 118.3(5) . .
O3 C19 O4 125.3(6) . .
O3 C19 C20 122.6(6) . .
O4 C19 C20 112.1(6) . .
C1 N1 C5 117.0(6) . .
C1 N1 U1 120.7(4) . .
C5 N1 U1 121.8(4) . .
C16 C17 C18 119.0(6) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
C14 C15 C16 118.1(6) . .
C14 C15 H15 121.0 . .
C16 C15 H15 121.0 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N3 C14 C15 122.5(5) . .
N3 C14 C13 115.9(5) . .
C15 C14 C13 121.6(5) . .
C10 C11 C12 118.3(6) . .
C10 C11 H11 120.9 . .
C12 C11 H11 120.9 . .
C3 C2 C1 119.4(6) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C12 N6 C8 117.2(6) . .
N6 C12 C11 124.3(7) . .
N6 C12 H12 117.8 . .
C11 C12 H12 117.8 . .
C5 C4 C3 118.6(6) . .
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
N6 C8 C9 122.9(6) . .
N6 C8 C7 116.4(6) . .
C9 C8 C7 120.7(6) . .
N4 C7 N5 124.8(5) . .
N4 C7 C8 118.1(5) . .
N5 C7 C8 117.1(5) . .
C17 C16 C15 119.5(6) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C23 C25 C26 122.0(6) 2_566 .
C23 C25 H25 119.0 2_566 .
C26 C25 H25 119.0 . .
C8 C9 C10 118.9(7) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
N1 C5 C4 123.4(6) . .
N1 C5 C6 115.0(5) . .
C4 C5 C6 121.4(6) . .
N1 C1 C2 122.5(6) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C21 C20 C26 120.5(6) . .
C21 C20 C19 119.4(6) . .
C26 C20 C19 120.1(6) . .
N3 C18 C17 123.3(6) . .
N3 C18 H18 118.4 . .
C17 C18 H18 118.4 . .
C23 C22 C21 119.7(7) 2_566 .
C23 C22 H22 120.1 2_566 .
C21 C22 H22 120.1 . .
C25 C26 C20 117.6(7) . .
C25 C26 C27 120.9(6) . .
C20 C26 C27 121.2(6) . .
C11 C10 C9 118.4(7) . .
C11 C10 H10 120.8 . .
C9 C10 H10 120.8 . .
C22 C23 C25 119.1(6) 2_566 2_566
C22 C23 C24 118.7(7) 2_566 .
C25 C23 C24 122.2(6) 2_566 .
O6 C24 O5 123.4(6) . .
O6 C24 C23 119.9(7) . .
O5 C24 C23 116.6(7) . .
C20 C21 C22 121.1(7) . .
C20 C21 H21 119.5 . .
C22 C21 H21 119.5 . .
C2 C3 C4 118.9(6) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.742(5) .
U1 O2 1.746(5) .
U1 O4 2.234(4) .
U1 O5 2.308(5) .
U1 N2 2.586(5) .
U1 N1 2.600(5) .
U1 N3 2.617(5) .
N2 C13 1.333(8) .
N2 C6 1.351(7) .
N3 C18 1.330(8) .
N3 C14 1.365(7) .
N4 C7 1.335(8) .
N4 C13 1.337(7) .
O5 C24 1.304(9) .
C6 N5 1.331(7) .
C6 C5 1.479(9) .
O4 C19 1.312(8) .
O3 C19 1.202(9) .
N5 C7 1.337(8) .
C13 C14 1.468(8) .
O6 C24 1.222(9) .
C19 C20 1.509(8) .
N1 C1 1.347(8) .
N1 C5 1.351(8) .
C17 C16 1.363(10) .
C17 C18 1.389(10) .
C17 H17 0.9300 .
C15 C14 1.388(9) .
C15 C16 1.400(9) .
C15 H15 0.9300 .
C27 C26 1.635(11) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C11 C10 1.381(12) .
C11 C12 1.375(11) .
C11 H11 0.9300 .
C2 C3 1.371(10) .
C2 C1 1.381(10) .
C2 H2 0.9300 .
N6 C12 1.335(8) .
N6 C8 1.336(9) .
C12 H12 0.9300 .
C4 C5 1.371(9) .
C4 C3 1.383(10) .
C4 H4 0.9300 .
C8 C9 1.383(9) .
C8 C7 1.485(8) .
C16 H16 0.9300 .
C25 C23 1.389(10) 2_566
C25 C26 1.398(9) .
C25 H25 0.9300 .
C9 C10 1.395(10) .
C9 H9 0.9300 .
C1 H1 0.9300 .
C20 C21 1.370(10) .
C20 C26 1.403(10) .
C18 H18 0.9300 .
C22 C23 1.379(10) 2_566
C22 C21 1.394(9) .
C22 H22 0.9300 .
C10 H10 0.9300 .
C23 C22 1.379(10) 2_566
C23 C25 1.389(10) 2_566
C23 C24 1.497(9) .
C21 H21 0.9300 .
C3 H3 0.9300 .
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
C13 N2 C6 N5 0.6(9) .
U1 N2 C6 N5 174.7(5) .
C13 N2 C6 C5 175.6(5) .
U1 N2 C6 C5 -10.2(7) .
N2 C6 N5 C7 0.6(9) .
C5 C6 N5 C7 -174.4(5) .
C6 N2 C13 N4 -2.4(9) .
U1 N2 C13 N4 -176.4(4) .
C6 N2 C13 C14 178.5(5) .
U1 N2 C13 C14 4.5(7) .
C7 N4 C13 N2 2.8(9) .
C7 N4 C13 C14 -178.1(5) .
U1 O4 C19 O3 -63.8(10) .
U1 O4 C19 C20 119.7(6) .
C18 N3 C14 C15 -0.1(9) .
U1 N3 C14 C15 176.8(5) .
C18 N3 C14 C13 179.6(6) .
U1 N3 C14 C13 -3.6(7) .
C16 C15 C14 N3 -1.1(10) .
C16 C15 C14 C13 179.3(6) .
N2 C13 C14 N3 -0.5(8) .
N4 C13 C14 N3 -179.7(5) .
N2 C13 C14 C15 179.1(6) .
N4 C13 C14 C15 0.0(9) .
C8 N6 C12 C11 -0.9(10) .
C10 C11 C12 N6 -2.1(11) .
C12 N6 C8 C9 3.3(10) .
C12 N6 C8 C7 -179.0(6) .
C13 N4 C7 N5 -1.4(9) .
C13 N4 C7 C8 -179.4(5) .
C6 N5 C7 N4 -0.1(9) .
C6 N5 C7 C8 177.9(5) .
N6 C8 C7 N4 -0.5(9) .
C9 C8 C7 N4 177.2(6) .
N6 C8 C7 N5 -178.7(6) .
C9 C8 C7 N5 -0.9(9) .
C18 C17 C16 C15 -2.0(11) .
C14 C15 C16 C17 2.1(11) .
N6 C8 C9 C10 -2.6(11) .
C7 C8 C9 C10 179.8(6) .
C1 N1 C5 C4 1.3(10) .
U1 N1 C5 C4 -170.2(5) .
C1 N1 C5 C6 -174.5(6) .
U1 N1 C5 C6 14.0(7) .
C3 C4 C5 N1 -0.9(10) .
C3 C4 C5 C6 174.6(6) .
N5 C6 C5 N1 173.0(6) .
N2 C6 C5 N1 -2.4(8) .
N5 C6 C5 C4 -2.9(9) .
N2 C6 C5 C4 -178.3(6) .
C5 N1 C1 C2 0.0(11) .
U1 N1 C1 C2 171.7(6) .
C3 C2 C1 N1 -1.8(12) .
O3 C19 C20 C21 -130.5(9) .
O4 C19 C20 C21 46.2(9) .
O3 C19 C20 C26 49.1(10) .
O4 C19 C20 C26 -134.3(7) .
C14 N3 C18 C17 0.2(10) .
U1 N3 C18 C17 -176.7(5) .
C16 C17 C18 N3 0.8(12) .
C23 C25 C26 C20 3.4(10) 2_566
C23 C25 C26 C27 176.6(7) 2_566
C21 C20 C26 C25 -1.1(10) .
C19 C20 C26 C25 179.3(6) .
C21 C20 C26 C27 -174.2(7) .
C19 C20 C26 C27 6.2(10) .
C12 C11 C10 C9 2.7(11) .
C8 C9 C10 C11 -0.5(11) .
U1 O5 C24 O6 33.2(11) .
U1 O5 C24 C23 -147.1(5) .
C22 C23 C24 O6 -4.4(11) 2_566
C25 C23 C24 O6 176.6(7) 2_566
C22 C23 C24 O5 175.9(6) 2_566
C25 C23 C24 O5 -3.1(10) 2_566
C26 C20 C21 C22 -1.5(11) .
C19 C20 C21 C22 178.1(6) .
C23 C22 C21 C20 1.9(11) 2_566
C1 C2 C3 C4 2.1(12) .
C5 C4 C3 C2 -0.9(11) .
