#------------------------------------------------------------------------------
#$Date: 2025-03-04 20:48:43 +0100 (Tue 04 de Mar de 2025) $
#$Revision: 298204 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/97/7249764.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_7249764
loop_
_publ_author_name
'Lee, Young Hoon'
'Atoini, Youssef'
'Kusumoto, Sotaro'
'Hayami, Shinya'
'Kim, Yang'
'Harrowfield, Jack'
'Thuéry, Pierre'
_publ_section_title
;
 Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based
 dicarboxylate zwitterions and simple anionic dicarboxylates
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1034
_journal_page_last               1043
_journal_paper_doi               10.1039/D4CE01270D
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C38 H38 N2 O18 U2'
_chemical_formula_weight         1286.76
_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   mixed
_audit_update_record
;
2024-12-09 deposited with the CCDC.	2025-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                100.8155(12)
_cell_angle_beta                 91.1157(13)
_cell_angle_gamma                111.4308(12)
_cell_formula_units_Z            1
_cell_length_a                   8.1663(3)
_cell_length_b                   10.5584(3)
_cell_length_c                   12.5335(4)
_cell_measurement_reflns_used    9607
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.2179
_cell_measurement_theta_min      2.9547
_cell_volume                     983.50(6)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker Instrument Service v8.5.1.2 Release'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1365)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            47714
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.96
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms 70 W'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    8.306
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.116
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.044
_refine_diff_density_max         1.753
_refine_diff_density_min         -1.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5986
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0202
_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)+(0.0288P)²+1.0468P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0522
_reflns_number_gt                5596
_reflns_number_total             5986
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce01270d1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7249764--7249770.cif.
;
_cod_database_code               7249764
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U U1 -0.02129(2) 0.63634(2) 0.72444(2) 0.01423(3) Uani d . . . 1 . .
O O1 -0.0186(3) 0.7818(2) 0.82354(17) 0.0211(4) Uani d . . . 1 . .
O O2 -0.0262(3) 0.4889(2) 0.62776(17) 0.0208(4) Uani d . . . 1 . .
O O3 0.2648(3) 0.6679(2) 0.81470(17) 0.0219(4) Uani d . . . 1 . .
O O4 0.0297(3) 0.5154(2) 0.86347(17) 0.0220(4) Uani d . . . 1 . .
O O5 0.7021(3) 0.4848(2) 0.78404(17) 0.0204(4) Uani d . . . 1 . .
O O6 0.6766(3) 0.5997(2) 0.66020(18) 0.0231(4) Uani d . . . 1 . .
O O7 -0.0284(3) 0.7678(2) 0.57787(17) 0.0198(4) Uani d . . . 1 . .
O O8 0.2316(3) 0.7766(2) 0.63614(16) 0.0204(4) Uani d . . . 1 . .
O O9 0.5406(3) 0.7569(3) 0.5401(2) 0.0346(5) Uani d . . D 1 . .
H H9A 0.576(5) 0.706(4) 0.570(3) 0.052000 Uiso d U . D 1 . .
H H9B 0.448(4) 0.757(5) 0.568(3) 0.052000 Uiso d U . D 1 . .
N N1 0.1630(3) 0.8910(2) 0.28817(18) 0.0161(4) Uani d . . . 1 . .
C C1 0.2844(3) 0.3687(3) 0.8776(2) 0.0162(4) Uani d . . . 1 . .
C C2 0.3363(3) 0.3299(3) 0.7743(2) 0.0180(5) Uani d . . . 1 . .
C C3 0.3180(4) 0.1917(3) 0.7383(2) 0.0232(5) Uani d . . . 1 . .
H H3 0.355648 0.164734 0.669438 0.028000 Uiso calc U . R 1 . .
C C4 0.2461(4) 0.0925(3) 0.8009(3) 0.0255(6) Uani d . . . 1 . .
H H4 0.236705 -0.000747 0.775412 0.031000 Uiso calc U . R 1 . .
C C5 0.1882(4) 0.1301(3) 0.9004(3) 0.0240(6) Uani d . . . 1 . .
H H5 0.135335 0.062191 0.942468 0.029000 Uiso calc U . R 1 . .
C C6 0.2079(4) 0.2681(3) 0.9389(2) 0.0198(5) Uani d . . . 1 . .
H H6 0.168689 0.293883 1.007465 0.024000 Uiso calc U . R 1 . .
C C7 0.3125(4) 0.5193(3) 0.9259(2) 0.0208(5) Uani d . . . 1 . .
H H7A 0.287124 0.527859 1.003316 0.025000 Uiso calc U . R 1 . .
H H7B 0.437781 0.578797 0.923788 0.025000 Uiso calc U . R 1 . .
C C8 0.1961(4) 0.5705(3) 0.8653(2) 0.0191(5) Uani d . . . 1 . .
C C9 0.4096(4) 0.4299(3) 0.6998(2) 0.0213(5) Uani d . . . 1 . .
H H9C 0.378084 0.377110 0.623398 0.026000 Uiso calc U . R 1 . .
H H9D 0.351031 0.497926 0.709942 0.026000 Uiso calc U . R 1 . .
C C10 0.6057(4) 0.5085(3) 0.7165(2) 0.0180(5) Uani d . . . 1 . .
C C11 0.2115(4) 0.8002(3) 0.2177(2) 0.0231(5) Uani d . . . 1 . .
H H11 0.176674 0.706451 0.225655 0.028000 Uiso calc U . R 1 . .
C C12 0.3113(4) 0.8431(3) 0.1347(2) 0.0249(6) Uani d . . . 1 . .
H H12 0.347114 0.779618 0.086143 0.030000 Uiso calc U . R 1 . .
C C13 0.3599(3) 0.9808(3) 0.1217(2) 0.0191(5) Uani d . . . 1 . .
C C14 0.3027(4) 1.0690(3) 0.1938(3) 0.0248(6) Uani d . . . 1 . .
H H14 0.331999 1.162518 0.186461 0.030000 Uiso calc U . R 1 . .
C C15 0.2042(4) 1.0221(3) 0.2754(2) 0.0229(5) Uani d . . . 1 . .
H H15 0.164510 1.083151 0.323799 0.028000 Uiso calc U . R 1 . .
C C16 0.0759(3) 0.8434(3) 0.3839(2) 0.0201(5) Uani d . . . 1 . .
H H16A -0.004880 0.744626 0.362199 0.024000 Uiso calc U . R 1 . .
H H16B 0.005247 0.899194 0.411588 0.024000 Uiso calc U . R 1 . .
C C17 0.2146(3) 0.8594(3) 0.4722(2) 0.0187(5) Uani d . . . 1 . .
H H17A 0.293343 0.812378 0.441347 0.022000 Uiso calc U . R 1 . .
H H17B 0.287454 0.959400 0.498398 0.022000 Uiso calc U . R 1 . .
C C18 0.1339(3) 0.7986(3) 0.5674(2) 0.0168(5) Uani d . . . 1 . .
C C19 0.4711(4) 1.0376(3) 0.0382(2) 0.0198(5) Uani d . . . 1 . .
H H19 0.503899 1.133770 0.038693 0.024000 Uiso calc U . R 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 U1 O1 . . 178.69(8) ?
O2 U1 O6 . 1_455 91.51(9) ?
O1 U1 O6 . 1_455 88.39(9) ?
O2 U1 O4 . . 85.94(8) ?
O1 U1 O4 . . 92.98(8) ?
O6 U1 O4 1_455 . 119.98(7) ?
O2 U1 O3 . . 92.47(9) ?
O1 U1 O3 . . 87.46(9) ?
O6 U1 O3 1_455 . 171.59(7) ?
O4 U1 O3 . . 53.00(7) ?
O2 U1 O5 . 1_455 87.77(9) ?
O1 U1 O5 . 1_455 91.13(8) ?
O6 U1 O5 1_455 1_455 52.94(6) ?
O4 U1 O5 . 1_455 67.04(7) ?
O3 U1 O5 . 1_455 119.82(7) ?
O2 U1 O8 . . 87.27(8) ?
O1 U1 O8 . . 93.91(8) ?
O6 U1 O8 1_455 . 119.90(6) ?
O4 U1 O8 . . 119.84(7) ?
O3 U1 O8 . . 67.72(7) ?
O5 U1 O8 1_455 . 171.17(7) ?
O2 U1 O7 . . 92.18(8) ?
O1 U1 O7 . . 88.99(8) ?
O6 U1 O7 1_455 . 67.89(6) ?
O4 U1 O7 . . 171.91(6) ?
O3 U1 O7 . . 119.32(6) ?
O5 U1 O7 1_455 . 120.80(6) ?
O8 U1 O7 . . 52.15(6) ?
C8 O3 U1 . . 93.15(16) ?
C8 O4 U1 . . 93.29(16) ?
C10 O5 U1 . 1_655 93.28(16) ?
C10 O6 U1 . 1_655 93.92(16) ?
C18 O7 U1 . . 92.62(15) ?
C18 O8 U1 . . 93.86(15) ?
H9A O9 H9B . . 106.3(16) ?
C15 N1 C11 . . 120.7(2) ?
C15 N1 C16 . . 121.6(2) ?
C11 N1 C16 . . 117.5(2) ?
C6 C1 C2 . . 119.8(3) ?
C6 C1 C7 . . 118.7(2) ?
C2 C1 C7 . . 121.5(2) ?
C3 C2 C1 . . 118.4(2) ?
C3 C2 C9 . . 118.2(3) ?
C1 C2 C9 . . 123.3(3) ?
C4 C3 C2 . . 121.5(3) ?
C4 C3 H3 . . 119.200000 ?
C2 C3 H3 . . 119.200000 ?
C5 C4 C3 . . 119.7(3) ?
C5 C4 H4 . . 120.200000 ?
C3 C4 H4 . . 120.200000 ?
C4 C5 C6 . . 119.7(3) ?
C4 C5 H5 . . 120.100000 ?
C6 C5 H5 . . 120.100000 ?
C5 C6 C1 . . 120.7(3) ?
C5 C6 H6 . . 119.600000 ?
C1 C6 H6 . . 119.600000 ?
C8 C7 C1 . . 112.2(2) ?
C8 C7 H7A . . 109.200000 ?
C1 C7 H7A . . 109.200000 ?
C8 C7 H7B . . 109.200000 ?
C1 C7 H7B . . 109.200000 ?
H7A C7 H7B . . 107.900000 ?
O4 C8 O3 . . 119.8(2) ?
O4 C8 C7 . . 120.2(2) ?
O3 C8 C7 . . 120.0(3) ?
O4 C8 U1 . . 60.18(14) ?
O3 C8 U1 . . 60.20(14) ?
C7 C8 U1 . . 171.46(19) ?
C10 C9 C2 . . 115.4(2) ?
C10 C9 H9C . . 108.400000 ?
C2 C9 H9C . . 108.400000 ?
C10 C9 H9D . . 108.400000 ?
C2 C9 H9D . . 108.400000 ?
H9C C9 H9D . . 107.500000 ?
O5 C10 O6 . . 119.4(2) ?
O5 C10 C9 . . 121.4(2) ?
O6 C10 C9 . . 119.2(2) ?
O5 C10 U1 . 1_655 60.32(14) ?
O6 C10 U1 . 1_655 59.43(14) ?
C9 C10 U1 . 1_655 173.2(2) ?
N1 C11 C12 . . 120.2(3) ?
N1 C11 H11 . . 119.900000 ?
C12 C11 H11 . . 119.900000 ?
C11 C12 C13 . . 119.9(3) ?
C11 C12 H12 . . 120.100000 ?
C13 C12 H12 . . 120.100000 ?
C14 C13 C12 . . 117.9(2) ?
C14 C13 C19 . . 118.3(3) ?
C12 C13 C19 . . 123.9(3) ?
C15 C14 C13 . . 120.3(3) ?
C15 C14 H14 . . 119.800000 ?
C13 C14 H14 . . 119.800000 ?
N1 C15 C14 . . 120.9(3) ?
N1 C15 H15 . . 119.500000 ?
C14 C15 H15 . . 119.500000 ?
N1 C16 C17 . . 109.5(2) ?
N1 C16 H16A . . 109.800000 ?
C17 C16 H16A . . 109.800000 ?
N1 C16 H16B . . 109.800000 ?
C17 C16 H16B . . 109.800000 ?
H16A C16 H16B . . 108.200000 ?
C18 C17 C16 . . 112.1(2) ?
C18 C17 H17A . . 109.200000 ?
C16 C17 H17A . . 109.200000 ?
C18 C17 H17B . . 109.200000 ?
C16 C17 H17B . . 109.200000 ?
H17A C17 H17B . . 107.900000 ?
O7 C18 O8 . . 120.3(2) ?
O7 C18 C17 . . 120.7(2) ?
O8 C18 C17 . . 119.0(2) ?
O7 C18 U1 . . 61.29(13) ?
O8 C18 U1 . . 59.84(13) ?
C17 C18 U1 . . 169.55(19) ?
C19 C19 C13 2_675 . 124.0(3) ?
C19 C19 H19 2_675 . 118.000000 ?
C13 C19 H19 . . 118.000000 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
U1 O2 . 1.772(2) ?
U1 O1 . 1.778(2) ?
U1 O6 1_455 2.448(2) ?
U1 O4 . 2.457(2) ?
U1 O3 . 2.457(2) ?
U1 O5 1_455 2.4683(19) ?
U1 O8 . 2.4803(19) ?
U1 O7 . 2.5131(19) ?
O3 C8 . 1.270(3) ?
O4 C8 . 1.265(3) ?
O5 C10 . 1.263(3) ?
O6 C10 . 1.275(3) ?
O7 C18 . 1.260(3) ?
O8 C18 . 1.271(3) ?
O9 H9A . 0.840(10) ?
O9 H9B . 0.841(10) ?
N1 C15 . 1.341(3) ?
N1 C11 . 1.353(4) ?
N1 C16 . 1.482(3) ?
C1 C6 . 1.396(4) ?
C1 C2 . 1.405(4) ?
C1 C7 . 1.522(4) ?
C2 C3 . 1.395(4) ?
C2 C9 . 1.508(4) ?
C3 C4 . 1.391(4) ?
C3 H3 . 0.950000 ?
C4 C5 . 1.382(5) ?
C4 H4 . 0.950000 ?
C5 C6 . 1.394(4) ?
C5 H5 . 0.950000 ?
C6 H6 . 0.950000 ?
C7 C8 . 1.508(4) ?
C7 H7A . 0.990000 ?
C7 H7B . 0.990000 ?
C9 C10 . 1.499(4) ?
C9 H9C . 0.990000 ?
C9 H9D . 0.990000 ?
C11 C12 . 1.376(4) ?
C11 H11 . 0.950000 ?
C12 C13 . 1.403(4) ?
C12 H12 . 0.950000 ?
C13 C14 . 1.386(4) ?
C13 C19 . 1.467(4) ?
C14 C15 . 1.368(4) ?
C14 H14 . 0.950000 ?
C15 H15 . 0.950000 ?
C16 C17 . 1.510(4) ?
C16 H16A . 0.990000 ?
C16 H16B . 0.990000 ?
C17 C18 . 1.509(4) ?
C17 H17A . 0.990000 ?
C17 H17B . 0.990000 ?
C19 C19 2_675 1.333(6) ?
C19 H19 . 0.950000 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O9 H9A O6 . 0.840(10) 2.075(12) 2.910(3) 173.(5) ?
O9 H9B O8 . 0.841(10) 2.037(11) 2.876(3) 175.(4) ?
C9 H9C O9 2_666 0.990000 2.510000 3.392(4) 148.500000 ?
C9 H9D O3 . 0.990000 2.350000 3.266(4) 153.700000 ?
C11 H11 O4 2_566 0.950000 2.370000 3.142(4) 137.700000 ?
C11 H11 O5 2_666 0.950000 2.540000 3.329(4) 140.700000 ?
C15 H15 O7 2_576 0.950000 2.420000 3.356(3) 170.600000 ?
C16 H16A O2 2_566 0.990000 2.590000 3.355(4) 133.700000 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -3.4(4) ?
C7 C1 C2 C3 . . . . 175.5(2) ?
C6 C1 C2 C9 . . . . 176.1(2) ?
C7 C1 C2 C9 . . . . -4.9(4) ?
C1 C2 C3 C4 . . . . 1.7(4) ?
C9 C2 C3 C4 . . . . -177.9(3) ?
C2 C3 C4 C5 . . . . 1.1(4) ?
C3 C4 C5 C6 . . . . -2.1(4) ?
C4 C5 C6 C1 . . . . 0.4(4) ?
C2 C1 C6 C5 . . . . 2.4(4) ?
C7 C1 C6 C5 . . . . -176.6(2) ?
C6 C1 C7 C8 . . . . -112.4(3) ?
C2 C1 C7 C8 . . . . 68.7(3) ?
U1 O4 C8 O3 . . . . 9.0(3) ?
U1 O4 C8 C7 . . . . -170.1(2) ?
U1 O3 C8 O4 . . . . -9.0(3) ?
U1 O3 C8 C7 . . . . 170.1(2) ?
C1 C7 C8 O4 . . . . 63.4(3) ?
C1 C7 C8 O3 . . . . -115.7(3) ?
C3 C2 C9 C10 . . . . -92.7(3) ?
C1 C2 C9 C10 . . . . 87.8(3) ?
U1 O5 C10 O6 1_655 . . . -6.7(3) ?
U1 O5 C10 C9 1_655 . . . 172.3(2) ?
U1 O6 C10 O5 1_655 . . . 6.8(3) ?
U1 O6 C10 C9 1_655 . . . -172.3(2) ?
C2 C9 C10 O5 . . . . 4.2(4) ?
C2 C9 C10 O6 . . . . -176.7(3) ?
C15 N1 C11 C12 . . . . 3.0(4) ?
C16 N1 C11 C12 . . . . -172.3(3) ?
N1 C11 C12 C13 . . . . -1.2(5) ?
C11 C12 C13 C14 . . . . -0.7(4) ?
C11 C12 C13 C19 . . . . 177.7(3) ?
C12 C13 C14 C15 . . . . 0.9(4) ?
C19 C13 C14 C15 . . . . -177.6(3) ?
C11 N1 C15 C14 . . . . -2.8(4) ?
C16 N1 C15 C14 . . . . 172.3(3) ?
C13 C14 C15 N1 . . . . 0.8(5) ?
C15 N1 C16 C17 . . . . -93.1(3) ?
C11 N1 C16 C17 . . . . 82.1(3) ?
N1 C16 C17 C18 . . . . -174.0(2) ?
U1 O7 C18 O8 . . . . -10.6(3) ?
U1 O7 C18 C17 . . . . 168.2(2) ?
U1 O8 C18 O7 . . . . 10.8(3) ?
U1 O8 C18 C17 . . . . -168.1(2) ?
C16 C17 C18 O7 . . . . -14.1(4) ?
C16 C17 C18 O8 . . . . 164.7(3) ?
C16 C17 C18 U1 . . . . 84.0(10) ?
C14 C13 C19 C19 . . . 2_675 -177.4(4) ?
C12 C13 C19 C19 . . . 2_675 4.2(5) ?
