#------------------------------------------------------------------------------
#$Date: 2021-09-06 14:49:28 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/38/1563817.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_1563817
loop_
_publ_author_name
'Zheng, Tianxiang'
'Kang, Xiaomin'
'Liu, Zhiliang'
_publ_section_title
;
 Effective enhancement of capacitive performance by the facile exfoliation
 of bulk metal-organic frameworks into 2D-functionalized nanosheets.
;
_journal_issue                   31
_journal_name_full               Nanoscale
_journal_page_first              13273
_journal_page_last               13284
_journal_paper_doi               10.1039/d1nr02164h
_journal_volume                  13
_journal_year                    2021
_chemical_formula_moiety         'C22 H17 Ce N4 O10'
_chemical_formula_sum            'C22 H17 Ce N4 O10'
_chemical_formula_weight         637.52
_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_creation_date             2021-03-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2021-04-11 deposited with the CCDC.	2021-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                97.634(2)
_cell_angle_beta                 101.520(2)
_cell_angle_gamma                114.601(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3959(18)
_cell_length_b                   10.604(2)
_cell_length_c                   13.407(3)
_cell_measurement_reflns_used    1708
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.2370
_cell_measurement_theta_min      3.3570
_cell_volume                     1154.6(4)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12540
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.598
_exptl_absorpt_coefficient_mu    2.038
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_description       block
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4063
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0176
_refine_ls_R_factor_gt           0.0173
_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)+(0.0230P)²+1.0933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0456
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4013
_reflns_number_total             4063
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nr02164h2.cif
_cod_data_source_block           xuxuebin20190329_0m
_cod_depositor_comments          'Adding full bibliography for 1563817.cif.'
_cod_original_cell_volume        1154.7(4)
_cod_database_code               1563817
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Rigid bond restraints
 C23, N1
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
3.a Rotating group:
 O9(H9A,H9B)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C5(H5), C9(H9), N1(H1), C24(H24), C23(H23), C20(H20), C18(H18),
 C16(H16), N13(H13), C1(H1A), C2(H2)
3.c Idealised tetrahedral OH refined as rotating group:
 O5(H5A)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Ce1 Ce 0.71179(2) 0.95332(2) 0.48194(2) 0.01639(5) Uani 1 1 d . . . . .
C6 C 1.1904(3) 1.5946(2) 0.40166(16) 0.0182(4) Uani 1 1 d . . . . .
C4 C 0.8972(3) 1.4612(2) 0.33679(17) 0.0204(4) Uani 1 1 d . . . . .
C7 C 1.2007(3) 1.4726(2) 0.42090(17) 0.0194(4) Uani 1 1 d . . . . .
H7 H 1.302072 1.475330 0.445133 0.023 Uiso 1 1 calc R U . . .
C5 C 1.0394(3) 1.5899(2) 0.36038(17) 0.0202(4) Uani 1 1 d . . . . .
H5 H 1.033376 1.672307 0.348601 0.024 Uiso 1 1 calc R U . . .
C9 C 0.9074(3) 1.3407(2) 0.36091(18) 0.0216(4) Uani 1 1 d . . . . .
H9 H 0.812509 1.255806 0.348312 0.026 Uiso 1 1 calc R U . . .
C8 C 1.0586(3) 1.3463(2) 0.40374(17) 0.0195(4) Uani 1 1 d . . . . .
O4 O 0.9433(2) 1.12107(17) 0.44500(14) 0.0308(4) Uani 1 1 d . . . . .
C11 C 1.0701(3) 1.2199(2) 0.43661(17) 0.0209(4) Uani 1 1 d . . . . .
C3 C 0.7340(3) 1.4509(2) 0.29108(19) 0.0249(5) Uani 1 1 d . . . . .
N2 N 0.7112(3) 1.5242(3) 0.2215(2) 0.0407(6) Uani 1 1 d . . . . .
N1 N 0.5484(3) 1.4877(3) 0.1989(2) 0.0564(7) Uani 1 1 d . U . . .
H1 H 0.499682 1.518592 0.154496 0.068 Uiso 1 1 calc R U . . .
C24 C 0.5911(3) 1.3676(3) 0.3124(2) 0.0446(7) Uani 1 1 d . . . . .
H24 H 0.576818 1.304802 0.356107 0.053 Uiso 1 1 calc R U . . .
C23 C 0.4732(4) 1.3965(4) 0.2553(3) 0.0523(8) Uani 1 1 d . U . . .
H23 H 0.364531 1.360866 0.255543 0.063 Uiso 1 1 calc R U . . .
O1 O 1.3539(2) 1.85025(17) 0.45949(13) 0.0298(4) Uani 1 1 d . . . . .
O2 O 1.4710(2) 1.71714(18) 0.41793(16) 0.0338(4) Uani 1 1 d . . . . .
C10 C 1.3474(3) 1.7297(2) 0.42779(17) 0.0200(4) Uani 1 1 d . . . . .
C19 C 0.8487(3) 1.0841(3) 0.82933(19) 0.0267(5) Uani 1 1 d . . . . .
C20 C 0.9769(3) 1.2178(3) 0.88047(19) 0.0283(5) Uani 1 1 d . . . . .
H20 H 1.044505 1.270823 0.843642 0.034 Uiso 1 1 calc R U . . .
C18 C 0.7497(3) 1.0021(3) 0.8842(2) 0.0323(6) Uani 1 1 d . . . . .
H18 H 0.663505 0.912569 0.849634 0.039 Uiso 1 1 calc R U . . .
C15 C 1.0051(3) 1.2735(3) 0.98692(19) 0.0302(5) Uani 1 1 d . . . . .
C17 C 0.7800(3) 1.0542(3) 0.9906(2) 0.0365(6) Uani 1 1 d . . . . .
C16 C 0.9056(3) 1.1897(3) 1.0413(2) 0.0372(6) Uani 1 1 d . . . . .
H16 H 0.923737 1.224994 1.112376 0.045 Uiso 1 1 calc R U . . .
O6 O 0.6828(4) 1.0100(3) 1.13853(18) 0.0734(8) Uani 1 1 d . . . . .
C21 C 0.6739(4) 0.9664(3) 1.0504(2) 0.0439(7) Uani 1 1 d . . . . .
O5 O 0.5711(4) 0.8367(3) 0.9940(2) 0.0808(10) Uani 1 1 d . . . . .
H5A H 0.519296 0.790707 1.030308 0.121 Uiso 1 1 calc R U . . .
N13 N 1.2393(3) 1.5041(3) 0.99476(17) 0.0378(5) Uani 1 1 d . . . . .
H13 H 1.240851 1.478112 0.931587 0.045 Uiso 1 1 calc R U . . .
C14 C 1.1329(3) 1.4199(3) 1.04031(19) 0.0296(5) Uani 1 1 d . . . . .
C1 C 1.1703(3) 1.4996(3) 1.1397(2) 0.0369(6) Uani 1 1 d . . . . .
H1A H 1.119100 1.471820 1.191234 0.044 Uiso 1 1 calc R U . . .
N12 N 1.3438(3) 1.6345(3) 1.05975(19) 0.0415(6) Uani 1 1 d . . . . .
C2 C 1.3006(4) 1.6308(3) 1.1475(2) 0.0398(6) Uani 1 1 d . . . . .
H2 H 1.350792 1.706239 1.206976 0.048 Uiso 1 1 calc R U . . .
O3 O 1.2058(2) 1.22106(19) 0.45554(17) 0.0369(4) Uani 1 1 d . . . . .
O8 O 0.91638(19) 1.08373(18) 0.66678(12) 0.0259(3) Uani 1 1 d . . . . .
O7 O 0.66490(19) 0.93879(17) 0.66330(12) 0.0257(3) Uani 1 1 d . . . . .
C22 C 0.8092(3) 1.0315(2) 0.71312(18) 0.0226(5) Uani 1 1 d . . . . .
O9 O 0.5721(2) 0.9876(2) 0.31377(13) 0.0323(4) Uani 1 1 d . . . . .
H9A H 0.496482 1.008034 0.323328 0.048 Uiso 1 1 d R U . . .
H9B H 0.522584 0.908271 0.267588 0.048 Uiso 1 1 d R U . . .
O10 O 0.7593(3) 0.8265(3) 0.32487(17) 0.0382(5) Uani 1 1 d . . . . .
H10A H 0.853(5) 0.859(4) 0.315(3) 0.068(12) Uiso 1 1 d . . . . .
H10B H 0.739(5) 0.754(5) 0.318(3) 0.060(13) Uiso 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'
Ce Ce -0.2486 2.6331 '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'
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
O4 Ce1 O1 89.09(6) . 2_786 ?
O4 Ce1 O2 145.95(6) . 1_445 ?
O4 Ce1 O3 105.20(6) . 2_776 ?
O4 Ce1 O8 77.20(6) . . ?
O4 Ce1 O7 127.02(6) . . ?
O4 Ce1 C22 101.86(6) . . ?
O4 Ce1 O9 80.76(6) . . ?
O4 Ce1 O10 71.93(7) . . ?
O1 Ce1 O8 76.51(6) 2_786 . ?
O1 Ce1 O7 72.53(6) 2_786 . ?
O1 Ce1 C22 71.60(6) 2_786 . ?
O1 Ce1 O9 75.75(6) 2_786 . ?
O1 Ce1 O10 142.82(7) 2_786 . ?
O2 Ce1 O1 113.38(6) 1_445 2_786 ?
O2 Ce1 O3 72.69(6) 1_445 2_776 ?
O2 Ce1 O8 131.15(6) 1_445 . ?
O2 Ce1 O7 85.41(6) 1_445 . ?
O2 Ce1 C22 109.22(6) 1_445 . ?
O2 Ce1 O9 80.60(6) 1_445 . ?
O2 Ce1 O10 74.99(7) 1_445 . ?
O3 Ce1 O1 142.86(6) 2_776 2_786 ?
O3 Ce1 O8 73.70(6) 2_776 . ?
O3 Ce1 O7 71.53(6) 2_776 . ?
O3 Ce1 C22 71.97(7) 2_776 . ?
O3 Ce1 O9 139.56(7) 2_776 . ?
O3 Ce1 O10 74.11(8) 2_776 . ?
O8 Ce1 C22 25.23(6) . . ?
O7 Ce1 O8 50.57(5) . . ?
O7 Ce1 C22 25.39(6) . . ?
O9 Ce1 O8 144.58(6) . . ?
O9 Ce1 O7 136.48(5) . . ?
O9 Ce1 C22 147.17(6) . . ?
O9 Ce1 O10 69.93(7) . . ?
O10 Ce1 O8 126.84(6) . . ?
O10 Ce1 O7 144.19(7) . . ?
O10 Ce1 C22 142.38(7) . . ?
C7 C6 C5 120.6(2) . . ?
C7 C6 C10 117.28(19) . . ?
C5 C6 C10 122.10(19) . . ?
C5 C4 C9 119.4(2) . . ?
C5 C4 C3 121.5(2) . . ?
C9 C4 C3 119.0(2) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.7(2) . . ?
C8 C7 H7 120.1 . . ?
C6 C5 C4 119.7(2) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C4 C9 H9 119.7 . . ?
C8 C9 C4 120.6(2) . . ?
C8 C9 H9 119.7 . . ?
C7 C8 C9 119.7(2) . . ?
C7 C8 C11 119.33(19) . . ?
C9 C8 C11 120.92(19) . . ?
C11 O4 Ce1 172.73(16) . . ?
O4 C11 C8 118.2(2) . . ?
O3 C11 C8 117.73(19) . . ?
O3 C11 O4 124.0(2) . . ?
N2 C3 C4 121.7(2) . . ?
N2 C3 C24 112.0(2) . . ?
C24 C3 C4 126.3(2) . . ?
C3 N2 N1 104.4(2) . . ?
N2 N1 H1 124.2 . . ?
C23 N1 N2 111.7(3) . . ?
C23 N1 H1 124.2 . . ?
C3 C24 H24 127.1 . . ?
C3 C24 C23 105.8(3) . . ?
C23 C24 H24 127.1 . . ?
N1 C23 C24 106.0(3) . . ?
N1 C23 H23 127.0 . . ?
C24 C23 H23 127.0 . . ?
C10 O1 Ce1 164.52(15) . 2_786 ?
C10 O2 Ce1 109.20(14) . 1_665 ?
O1 C10 C6 121.1(2) . . ?
O2 C10 C6 117.00(19) . . ?
O2 C10 O1 121.9(2) . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 C22 120.0(2) . . ?
C18 C19 C22 119.6(2) . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C15 120.4(2) . . ?
C15 C20 H20 119.8 . . ?
C19 C18 H18 120.1 . . ?
C17 C18 C19 119.7(2) . . ?
C17 C18 H18 120.1 . . ?
C20 C15 C14 121.0(2) . . ?
C16 C15 C20 118.6(2) . . ?
C16 C15 C14 120.3(2) . . ?
C18 C17 C16 120.0(2) . . ?
C18 C17 C21 120.1(2) . . ?
C16 C17 C21 119.9(2) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.8(2) . . ?
C17 C16 H16 119.6 . . ?
O6 C21 C17 123.4(3) . . ?
O6 C21 O5 124.2(3) . . ?
O5 C21 C17 112.4(2) . . ?
C21 O5 H5A 109.5 . . ?
C14 N13 H13 123.8 . . ?
C14 N13 N12 112.5(2) . . ?
N12 N13 H13 123.8 . . ?
N13 C14 C15 123.7(2) . . ?
N13 C14 C1 105.8(2) . . ?
C1 C14 C15 130.5(2) . . ?
C14 C1 H1A 127.1 . . ?
C14 C1 C2 105.8(2) . . ?
C2 C1 H1A 127.1 . . ?
C2 N12 N13 104.6(2) . . ?
C1 C2 H2 124.3 . . ?
N12 C2 C1 111.4(2) . . ?
N12 C2 H2 124.3 . . ?
C11 O3 Ce1 129.84(15) . 2_776 ?
C22 O8 Ce1 93.32(13) . . ?
C22 O7 Ce1 94.20(13) . . ?
C19 C22 Ce1 172.50(16) . . ?
O8 C22 Ce1 61.45(12) . . ?
O8 C22 C19 120.0(2) . . ?
O8 C22 O7 121.6(2) . . ?
O7 C22 Ce1 60.41(11) . . ?
O7 C22 C19 118.3(2) . . ?
Ce1 O9 H9A 109.6 . . ?
Ce1 O9 H9B 109.5 . . ?
H9A O9 H9B 104.4 . . ?
Ce1 O10 H10A 120(3) . . ?
Ce1 O10 H10B 119(3) . . ?
H10A O10 H10B 101(4) . . ?
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
Ce1 O4 2.3633(16) . ?
Ce1 O1 2.4834(17) 2_786 ?
Ce1 O2 2.4626(17) 1_445 ?
Ce1 O3 2.4630(17) 2_776 ?
Ce1 O8 2.5928(17) . ?
Ce1 O7 2.5693(16) . ?
Ce1 C22 2.947(2) . ?
Ce1 O9 2.5243(17) . ?
Ce1 O10 2.562(2) . ?
C6 C7 1.391(3) . ?
C6 C5 1.394(3) . ?
C6 C10 1.501(3) . ?
C4 C5 1.395(3) . ?
C4 C9 1.395(3) . ?
C4 C3 1.486(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.391(3) . ?
C5 H5 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.395(3) . ?
C8 C11 1.504(3) . ?
O4 C11 1.255(3) . ?
C11 O3 1.244(3) . ?
C3 N2 1.332(3) . ?
C3 C24 1.378(4) . ?
N2 N1 1.368(3) . ?
N1 H1 0.8600 . ?
N1 C23 1.358(5) . ?
C24 H24 0.9300 . ?
C24 C23 1.384(4) . ?
C23 H23 0.9300 . ?
O1 C10 1.264(3) . ?
O2 C10 1.253(3) . ?
C19 C20 1.386(4) . ?
C19 C18 1.390(3) . ?
C19 C22 1.497(3) . ?
C20 H20 0.9300 . ?
C20 C15 1.397(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.385(4) . ?
C15 C16 1.396(4) . ?
C15 C14 1.474(4) . ?
C17 C16 1.388(4) . ?
C17 C21 1.499(4) . ?
C16 H16 0.9300 . ?
O6 C21 1.184(4) . ?
C21 O5 1.312(4) . ?
O5 H5A 0.8200 . ?
N13 H13 0.8600 . ?
N13 C14 1.347(3) . ?
N13 N12 1.358(3) . ?
C14 C1 1.371(4) . ?
C1 H1A 0.9300 . ?
C1 C2 1.392(4) . ?
N12 C2 1.319(4) . ?
C2 H2 0.9300 . ?
O8 C22 1.258(3) . ?
O7 C22 1.267(3) . ?
O9 H9A 0.8519 . ?
O9 H9B 0.8536 . ?
O10 H10A 0.85(4) . ?
O10 H10B 0.70(4) . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ce1 O1 C10 C6 2.3(7) 2_786 . . . ?
Ce1 O1 C10 O2 -176.8(4) 2_786 . . . ?
Ce1 O2 C10 C6 -174.74(15) 1_665 . . . ?
Ce1 O2 C10 O1 4.4(3) 1_665 . . . ?
Ce1 O8 C22 C19 -171.56(19) . . . . ?
Ce1 O8 C22 O7 5.4(2) . . . . ?
Ce1 O7 C22 C19 171.55(18) . . . . ?
Ce1 O7 C22 O8 -5.5(2) . . . . ?
C6 C7 C8 C9 4.2(3) . . . . ?
C6 C7 C8 C11 -172.9(2) . . . . ?
C4 C9 C8 C7 -1.1(3) . . . . ?
C4 C9 C8 C11 175.9(2) . . . . ?
C4 C3 N2 N1 -179.7(2) . . . . ?
C4 C3 C24 C23 177.8(3) . . . . ?
C7 C6 C5 C4 -0.9(3) . . . . ?
C7 C6 C10 O1 -147.1(2) . . . . ?
C7 C6 C10 O2 32.1(3) . . . . ?
C7 C8 C11 O4 162.6(2) . . . . ?
C7 C8 C11 O3 -16.2(3) . . . . ?
C5 C6 C7 C8 -3.2(3) . . . . ?
C5 C6 C10 O1 32.5(3) . . . . ?
C5 C6 C10 O2 -148.3(2) . . . . ?
C5 C4 C9 C8 -3.0(3) . . . . ?
C5 C4 C3 N2 36.8(3) . . . . ?
C5 C4 C3 C24 -143.9(3) . . . . ?
C9 C4 C5 C6 3.9(3) . . . . ?
C9 C4 C3 N2 -146.1(2) . . . . ?
C9 C4 C3 C24 33.2(4) . . . . ?
C9 C8 C11 O4 -14.4(3) . . . . ?
C9 C8 C11 O3 166.8(2) . . . . ?
C8 C11 O3 Ce1 177.19(15) . . . 2_776 ?
O4 C11 O3 Ce1 -1.6(4) . . . 2_776 ?
C3 C4 C5 C6 -179.0(2) . . . . ?
C3 C4 C9 C8 179.9(2) . . . . ?
C3 N2 N1 C23 1.5(4) . . . . ?
C3 C24 C23 N1 3.5(4) . . . . ?
N2 C3 C24 C23 -2.8(4) . . . . ?
N2 N1 C23 C24 -3.2(4) . . . . ?
C24 C3 N2 N1 0.9(3) . . . . ?
C10 C6 C7 C8 176.39(19) . . . . ?
C10 C6 C5 C4 179.5(2) . . . . ?
C19 C20 C15 C16 2.3(4) . . . . ?
C19 C20 C15 C14 -175.3(2) . . . . ?
C19 C18 C17 C16 2.0(4) . . . . ?
C19 C18 C17 C21 -179.9(3) . . . . ?
C20 C19 C18 C17 -0.3(4) . . . . ?
C20 C19 C22 O8 22.1(3) . . . . ?
C20 C19 C22 O7 -155.0(2) . . . . ?
C20 C15 C16 C17 -0.6(4) . . . . ?
C20 C15 C14 N13 -6.3(4) . . . . ?
C20 C15 C14 C1 172.9(3) . . . . ?
C18 C19 C20 C15 -1.9(4) . . . . ?
C18 C19 C22 O8 -162.1(2) . . . . ?
C18 C19 C22 O7 20.8(3) . . . . ?
C18 C17 C16 C15 -1.5(5) . . . . ?
C18 C17 C21 O6 -172.3(3) . . . . ?
C18 C17 C21 O5 7.7(5) . . . . ?
C15 C14 C1 C2 -179.1(3) . . . . ?
C16 C15 C14 N13 176.2(3) . . . . ?
C16 C15 C14 C1 -4.7(5) . . . . ?
C16 C17 C21 O6 5.8(5) . . . . ?
C16 C17 C21 O5 -174.2(3) . . . . ?
C21 C17 C16 C15 -179.6(3) . . . . ?
N13 C14 C1 C2 0.1(3) . . . . ?
N13 N12 C2 C1 0.2(3) . . . . ?
C14 C15 C16 C17 177.0(3) . . . . ?
C14 N13 N12 C2 -0.2(3) . . . . ?
C14 C1 C2 N12 -0.2(4) . . . . ?
N12 N13 C14 C15 179.3(2) . . . . ?
N12 N13 C14 C1 0.0(3) . . . . ?
C22 C19 C20 C15 173.9(2) . . . . ?
C22 C19 C18 C17 -176.1(2) . . . . ?
