#------------------------------------------------------------------------------
#$Date: 2015-08-08 04:40:17 +0300 (Sat, 08 Aug 2015) $
#$Revision: 153131 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/15/7221531.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_7221531
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         'C52 H30 Cl2 N12 O16 U2'
_chemical_formula_sum            'C52 H30 Cl2 N12 O16 U2'
_chemical_formula_weight         1625.84
_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                100.4720(10)
_cell_angle_beta                 91.2190(10)
_cell_angle_gamma                98.4440(10)
_cell_formula_units_Z            1
_cell_length_a                   8.0819(6)
_cell_length_b                   12.6732(10)
_cell_length_c                   13.3764(10)
_cell_measurement_reflns_used    7303
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.453
_cell_measurement_theta_min      1.550
_cell_volume                     1331.01(18)
_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    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.903
_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  0.0521
_diffrn_reflns_av_unetI/netI     0.0751
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.903
_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       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19093
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.903
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.453
_diffrn_reflns_theta_min         1.550
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker APEX CCD'
_exptl_absorpt_coefficient_mu    6.260
_exptl_absorpt_correction_T_max  0.625
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, G. Sheldrick (1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.088
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.083
_refine_diff_density_max         1.288
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0376P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5322
_reflns_number_total             7303
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce00984g2.cif
_cod_data_source_block           compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7221528--7221534.cif.
;
_cod_database_code               7221531
_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   0.609
_shelx_estimated_absorpt_t_max   0.625
_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 0.26154(3) 0.26614(2) 0.23443(2) 0.03164(8) Uani 1 1 d . .
Cl1 Cl 0.4906(2) 0.39433(16) -0.09898(14) 0.0615(5) Uani 1 1 d . .
O1 O 0.4331(5) 0.3651(3) 0.2864(3) 0.0396(9) Uani 1 1 d . .
O2 O 0.0909(5) 0.1652(3) 0.1889(3) 0.0465(11) Uani 1 1 d . .
O3 O 0.2709(5) 0.3148(3) 0.0769(3) 0.0450(11) Uani 1 1 d . .
O4 O 0.1307(8) 0.1816(4) -0.0387(4) 0.0745(16) Uani 1 1 d . .
O5 O 0.1769(7) 0.6700(5) -0.2603(4) 0.0758(16) Uani 1 1 d . .
O6 O -0.0931(5) 0.6054(3) -0.2631(3) 0.0442(10) Uani 1 1 d . .
N1 N 0.4840(6) 0.1574(4) 0.1474(3) 0.0352(11) Uani 1 1 d . .
N2 N 0.3490(6) 0.1148(3) 0.3187(3) 0.0311(10) Uani 1 1 d . .
N3 N 0.1845(6) 0.2627(4) 0.4221(3) 0.0349(11) Uani 1 1 d . .
N7 N 0.2939(6) 0.0017(4) 0.4398(3) 0.0352(11) Uani 1 1 d . .
N4 N 0.4489(6) -0.0535(4) 0.2957(4) 0.0376(11) Uani 1 1 d . .
C1 C 0.5686(8) 0.1882(5) 0.0709(5) 0.0437(15) Uani 1 1 d . .
H1 H 0.5454 0.2504 0.0491 0.052 Uiso 1 1 calc R U
C19 C 0.1870(8) 0.2773(5) -0.0075(5) 0.0428(15) Uani 1 1 d . .
C2 C 0.6884(8) 0.1343(5) 0.0219(5) 0.0466(16) Uani 1 1 d . .
H2 H 0.7432 0.1587 -0.0319 0.056 Uiso 1 1 calc R U
C20 C 0.1578(8) 0.3595(4) -0.0715(4) 0.0341(13) Uani 1 1 d . .
C3 C 0.7246(8) 0.0433(5) 0.0547(5) 0.0466(16) Uani 1 1 d . .
H3 H 0.8063 0.0056 0.0240 0.056 Uiso 1 1 calc R U
C21 C 0.2864(7) 0.4211(5) -0.1109(4) 0.0380(14) Uani 1 1 d . .
C4 C 0.6396(8) 0.0083(5) 0.1332(4) 0.0409(14) Uani 1 1 d . .
H4 H 0.6606 -0.0541 0.1555 0.049 Uiso 1 1 calc R U
C25 C -0.0367(8) 0.4548(5) -0.1444(5) 0.0424(15) Uani 1 1 d . .
H26 H -0.1465 0.4654 -0.1555 0.051 Uiso 1 1 calc R U
C5 C 0.5220(7) 0.0679(4) 0.1785(4) 0.0328(13) Uani 1 1 d . .
C22 C 0.2570(8) 0.5003(5) -0.1655(4) 0.0413(14) Uani 1 1 d . .
H23 H 0.3455 0.5416 -0.1908 0.050 Uiso 1 1 calc R U
C6 C 0.4348(7) 0.0404(4) 0.2674(4) 0.0321(12) Uani 1 1 d . .
N6 N 0.4253(10) -0.2604(5) 0.3419(6) 0.086(2) Uani 1 1 d . .
C13 C 0.2831(7) 0.0918(4) 0.4043(4) 0.0313(12) Uani 1 1 d . .
C9 C 0.4254(11) -0.3585(5) 0.3747(7) 0.073(2) Uani 1 1 d . .
H10 H 0.4525 -0.4178 0.3297 0.088 Uiso 1 1 calc R U
C14 C 0.2005(7) 0.1773(4) 0.4661(4) 0.0347(13) Uani 1 1 d . .
C10 C 0.3872(9) -0.3694(6) 0.4696(6) 0.062(2) Uani 1 1 d . .
H11 H 0.3890 -0.4348 0.4914 0.074 Uiso 1 1 calc R U
C18 C 0.1150(8) 0.3434(5) 0.4763(5) 0.0458(16) Uani 1 1 d . .
H19 H 0.1010 0.4030 0.4471 0.055 Uiso 1 1 calc R U
C11 C 0.3454(8) -0.2803(5) 0.5338(5) 0.0533(18) Uani 1 1 d . .
H12 H 0.3208 -0.2862 0.6003 0.064 Uiso 1 1 calc R U
C12 C 0.3387(7) -0.1866(4) 0.5046(4) 0.0289(12) Uani 1 1 d . .
H13 H 0.3065 -0.1289 0.5494 0.035 Uiso 1 1 calc R U
C8 C 0.3776(8) -0.1760(5) 0.4129(5) 0.0409(15) Uani 1 1 d . .
C23 C 0.0925(7) 0.5170(5) -0.1819(4) 0.0350(13) Uani 1 1 d . .
C15 C 0.1471(8) 0.1677(5) 0.5627(4) 0.0460(16) Uani 1 1 d . .
H16 H 0.1577 0.1062 0.5896 0.055 Uiso 1 1 calc R U
C16 C 0.0780(9) 0.2521(6) 0.6173(5) 0.0552(18) Uani 1 1 d . .
H17 H 0.0416 0.2490 0.6823 0.066 Uiso 1 1 calc R U
C17 C 0.0636(9) 0.3411(6) 0.5737(5) 0.0523(17) Uani 1 1 d . .
H18 H 0.0194 0.3995 0.6100 0.063 Uiso 1 1 calc R U
C26 C -0.0043(8) 0.3771(5) -0.0904(5) 0.0441(15) Uani 1 1 d . .
H27 H -0.0932 0.3353 -0.0660 0.053 Uiso 1 1 calc R U
C24 C 0.0613(8) 0.6045(5) -0.2389(4) 0.0413(15) Uani 1 1 d . .
C7 C 0.3737(7) -0.0701(4) 0.3810(4) 0.0352(13) Uani 1 1 d . .
OW1 O 0.1378(7) -0.0778(5) 0.6596(4) 0.0831(17) Uani 1 1 d . .
OW2 O -0.0473(7) 0.0876(5) 0.7737(4) 0.0849(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'
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 '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
O2 U1 O1 176.97(18) . .
O2 U1 O6 91.47(18) . 2_565
O1 U1 O6 89.20(16) . 2_565
O2 U1 O3 89.32(17) . .
O1 U1 O3 93.70(16) . .
O6 U1 O3 82.09(14) 2_565 .
O2 U1 N2 81.98(16) . .
O1 U1 N2 95.59(16) . .
O6 U1 N2 138.98(15) 2_565 .
O3 U1 N2 137.82(14) . .
O2 U1 N1 94.82(17) . .
O1 U1 N1 85.59(16) . .
O6 U1 N1 158.68(15) 2_565 .
O3 U1 N1 77.64(14) . .
N2 U1 N1 62.24(14) . .
O2 U1 N3 91.21(17) . .
O1 U1 N3 86.04(16) . .
O6 U1 N3 78.04(14) 2_565 .
O3 U1 N3 160.13(14) . .
N2 U1 N3 61.77(14) . .
N1 U1 N3 122.07(14) . .
C19 O3 U1 133.3(4) . .
C24 O6 U1 133.3(4) . 2_565
C1 N1 C5 116.6(5) . .
C1 N1 U1 121.5(4) . .
C5 N1 U1 121.9(4) . .
C13 N2 C6 116.0(4) . .
C13 N2 U1 121.9(3) . .
C6 N2 U1 120.7(3) . .
C14 N3 C18 117.2(5) . .
C14 N3 U1 121.8(4) . .
C18 N3 U1 120.8(4) . .
C13 N7 C7 115.0(5) . .
C6 N4 C7 115.7(5) . .
N1 C1 C2 124.2(6) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
O4 C19 O3 125.1(6) . .
O4 C19 C20 119.0(6) . .
O3 C19 C20 115.9(5) . .
C3 C2 C1 118.1(6) . .
C3 C2 H2 121.0 . .
C1 C2 H2 121.0 . .
C21 C20 C26 117.7(5) . .
C21 C20 C19 122.9(5) . .
C26 C20 C19 119.4(5) . .
C4 C3 C2 119.6(6) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C20 C21 C22 121.8(6) . .
C20 C21 Cl1 119.6(4) . .
C22 C21 Cl1 118.5(5) . .
C3 C4 C5 118.5(6) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
C26 C25 C23 120.3(6) . .
C26 C25 H26 119.9 . .
C23 C25 H26 119.9 . .
N1 C5 C4 123.0(5) . .
N1 C5 C6 115.2(5) . .
C4 C5 C6 121.7(5) . .
C21 C22 C23 119.0(6) . .
C21 C22 H23 120.5 . .
C23 C22 H23 120.5 . .
N4 C6 N2 123.5(5) . .
N4 C6 C5 119.2(5) . .
N2 C6 C5 117.3(5) . .
C9 N6 C8 115.9(7) . .
N7 C13 N2 124.8(5) . .
N7 C13 C14 118.6(5) . .
N2 C13 C14 116.5(5) . .
C10 C9 N6 121.5(7) . .
C10 C9 H10 119.3 . .
N6 C9 H10 119.3 . .
N3 C14 C15 123.8(6) . .
N3 C14 C13 115.1(5) . .
C15 C14 C13 121.2(5) . .
C9 C10 C11 117.7(6) . .
C9 C10 H11 121.1 . .
C11 C10 H11 121.1 . .
N3 C18 C17 122.3(6) . .
N3 C18 H19 118.9 . .
C17 C18 H19 118.9 . .
C12 C11 C10 122.7(7) . .
C12 C11 H12 118.7 . .
C10 C11 H12 118.7 . .
C8 C12 C11 119.4(6) . .
C8 C12 H13 120.3 . .
C11 C12 H13 120.3 . .
C12 C8 N6 122.8(6) . .
C12 C8 C7 119.3(6) . .
N6 C8 C7 117.9(6) . .
C25 C23 C22 119.6(5) . .
C25 C23 C24 121.5(6) . .
C22 C23 C24 118.9(5) . .
C16 C15 C14 118.0(6) . .
C16 C15 H16 121.0 . .
C14 C15 H16 121.0 . .
C15 C16 C17 118.8(6) . .
C15 C16 H17 120.6 . .
C17 C16 H17 120.6 . .
C16 C17 C18 119.9(6) . .
C16 C17 H18 120.0 . .
C18 C17 H18 120.0 . .
C25 C26 C20 121.6(6) . .
C25 C26 H27 119.2 . .
C20 C26 H27 119.2 . .
O5 C24 O6 123.2(6) . .
O5 C24 C23 121.6(6) . .
O6 C24 C23 115.3(6) . .
N4 C7 N7 124.8(5) . .
N4 C7 C8 117.9(5) . .
N7 C7 C8 117.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O2 1.753(4) .
U1 O1 1.763(4) .
U1 O6 2.257(4) 2_565
U1 O3 2.301(4) .
U1 N2 2.569(4) .
U1 N1 2.592(5) .
U1 N3 2.606(5) .
Cl1 C21 1.743(6) .
O3 C19 1.279(7) .
O4 C19 1.224(7) .
O5 C24 1.230(8) .
O6 C24 1.284(7) .
O6 U1 2.257(4) 2_565
N1 C1 1.329(7) .
N1 C5 1.350(6) .
N2 C13 1.334(7) .
N2 C6 1.349(7) .
N3 C14 1.343(7) .
N3 C18 1.344(7) .
N7 C13 1.327(6) .
N7 C7 1.340(7) .
N4 C6 1.332(7) .
N4 C7 1.340(7) .
C1 C2 1.376(8) .
C1 H1 0.9300 .
C19 C20 1.503(8) .
C2 C3 1.374(8) .
C2 H2 0.9300 .
C20 C21 1.379(8) .
C20 C26 1.387(8) .
C3 C4 1.372(8) .
C3 H3 0.9300 .
C21 C22 1.387(8) .
C4 C5 1.381(8) .
C4 H4 0.9300 .
C25 C26 1.373(8) .
C25 C23 1.374(8) .
C25 H26 0.9300 .
C5 C6 1.465(8) .
C22 C23 1.396(8) .
C22 H23 0.9300 .
N6 C9 1.391(9) .
N6 C8 1.401(9) .
C13 C14 1.488(8) .
C9 C10 1.339(10) .
C9 H10 0.9300 .
C14 C15 1.392(8) .
C10 C11 1.378(10) .
C10 H11 0.9300 .
C18 C17 1.381(9) .
C18 H19 0.9300 .
C11 C12 1.323(7) .
C11 H12 0.9300 .
C12 C8 1.298(8) .
C12 H13 0.9300 .
C8 C7 1.484(7) .
C23 C24 1.502(8) .
C15 C16 1.377(9) .
C15 H16 0.9300 .
C16 C17 1.378(9) .
C16 H17 0.9300 .
C17 H18 0.9300 .
C26 H27 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
C5 N1 C1 C2 1.0(9) .
U1 N1 C1 C2 179.8(5) .
U1 O3 C19 O4 -33.7(10) .
U1 O3 C19 C20 146.4(4) .
N1 C1 C2 C3 -0.8(10) .
O4 C19 C20 C21 -117.4(7) .
O3 C19 C20 C21 62.5(8) .
O4 C19 C20 C26 64.2(8) .
O3 C19 C20 C26 -115.9(6) .
C1 C2 C3 C4 1.1(9) .
C26 C20 C21 C22 1.7(8) .
C19 C20 C21 C22 -176.7(5) .
C26 C20 C21 Cl1 -174.5(4) .
C19 C20 C21 Cl1 7.1(8) .
C2 C3 C4 C5 -1.5(9) .
C1 N1 C5 C4 -1.4(8) .
U1 N1 C5 C4 179.8(4) .
C1 N1 C5 C6 176.0(5) .
U1 N1 C5 C6 -2.9(6) .
C3 C4 C5 N1 1.7(9) .
C3 C4 C5 C6 -175.5(5) .
C20 C21 C22 C23 -0.8(9) .
Cl1 C21 C22 C23 175.4(4) .
C7 N4 C6 N2 -1.1(8) .
C7 N4 C6 C5 176.3(5) .
C13 N2 C6 N4 3.1(8) .
U1 N2 C6 N4 -163.2(4) .
C13 N2 C6 C5 -174.4(5) .
U1 N2 C6 C5 19.4(6) .
N1 C5 C6 N4 171.8(5) .
C4 C5 C6 N4 -10.8(8) .
N1 C5 C6 N2 -10.6(7) .
C4 C5 C6 N2 166.8(5) .
C7 N7 C13 N2 -2.1(8) .
C7 N7 C13 C14 -178.4(5) .
C6 N2 C13 N7 -1.4(8) .
U1 N2 C13 N7 164.7(4) .
C6 N2 C13 C14 175.0(5) .
U1 N2 C13 C14 -19.0(6) .
C8 N6 C9 C10 -2.1(12) .
C18 N3 C14 C15 1.1(9) .
U1 N3 C14 C15 -174.0(5) .
C18 N3 C14 C13 -178.1(5) .
U1 N3 C14 C13 6.7(6) .
N7 C13 C14 N3 -175.8(5) .
N2 C13 C14 N3 7.6(7) .
N7 C13 C14 C15 5.0(8) .
N2 C13 C14 C15 -171.6(5) .
N6 C9 C10 C11 0.9(12) .
C14 N3 C18 C17 0.9(9) .
U1 N3 C18 C17 176.1(5) .
C9 C10 C11 C12 1.3(11) .
C10 C11 C12 C8 -2.0(10) .
C11 C12 C8 N6 0.7(10) .
C11 C12 C8 C7 -178.6(6) .
C9 N6 C8 C12 1.3(11) .
C9 N6 C8 C7 -179.3(6) .
C26 C25 C23 C22 0.4(9) .
C26 C25 C23 C24 -178.4(6) .
C21 C22 C23 C25 -0.3(9) .
C21 C22 C23 C24 178.5(5) .
N3 C14 C15 C16 -1.8(10) .
C13 C14 C15 C16 177.3(6) .
C14 C15 C16 C17 0.5(10) .
C15 C16 C17 C18 1.3(11) .
N3 C18 C17 C16 -2.2(10) .
C23 C25 C26 C20 0.5(9) .
C21 C20 C26 C25 -1.6(9) .
C19 C20 C26 C25 176.9(6) .
U1 O6 C24 O5 -55.3(9) 2_565
U1 O6 C24 C23 124.8(5) 2_565
C25 C23 C24 O5 169.8(6) .
C22 C23 C24 O5 -9.0(9) .
C25 C23 C24 O6 -10.3(8) .
C22 C23 C24 O6 170.9(5) .
C6 N4 C7 N7 -2.8(8) .
C6 N4 C7 C8 176.7(5) .
C13 N7 C7 N4 4.3(8) .
C13 N7 C7 C8 -175.2(5) .
C12 C8 C7 N4 165.4(5) .
N6 C8 C7 N4 -13.9(8) .
C12 C8 C7 N7 -15.0(8) .
N6 C8 C7 N7 165.6(6) .
