#------------------------------------------------------------------------------
#$Date: 2017-04-28 04:32:51 +0300 (Fri, 28 Apr 2017) $
#$Revision: 195833 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/00/7120035.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_7120035
loop_
_publ_author_name
'Luo, Feng'
'Gao, Heng Ya'
'Peng, Wenli'
'Meng, PanPan'
'Feng, Xuefeng'
'Li, Jianqiang'
'Wu, HuiQiong'
'Yan, Chang Sheng'
'Xiaong, Yang Yang'
_publ_section_title
;
 Lanthanide separation using size-selective crystallization of Ln-MOFs
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC01898C
_journal_year                    2017
_chemical_formula_sum            'C33 H24 Ce2 N6 O18'
_chemical_formula_weight         1072.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-03-10 deposited with the CCDC.
2017-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.0930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.0164(6)
_cell_length_b                   7.3972(2)
_cell_length_c                   25.7120(7)
_cell_measurement_reflns_used    8344
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.69
_cell_measurement_theta_min      2.31
_cell_volume                     3675.73(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0201
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            11517
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    2.535
_exptl_absorpt_correction_T_max  0.8229
_exptl_absorpt_correction_T_min  0.7856
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.851
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3237
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      2.261
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.587
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0378P)²+40.6967P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0785
_reflns_number_gt                2988
_reflns_number_total             3237
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc01898c2.cif
_cod_data_source_block           p2015110908qianse_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7120035
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
C1 C 0.07403(5) -0.02396(13) 0.09608(4) 0.0255(3) Uani 1 1 d .
H1 H 0.0565 -0.1403 0.0889 0.031 Uiso 1 1 calc R
C2 C 0.20945(7) -0.04017(15) 0.47847(4) 0.0384(4) Uani 1 1 d .
C3 C 0.14977(5) 0.18815(13) 0.15679(4) 0.0237(3) Uani 1 1 d .
C4 C 0.14117(5) -0.14368(13) 0.18221(4) 0.0221(3) Uani 1 1 d .
C5 C 0.12149(5) 0.01063(13) 0.14491(4) 0.0229(3) Uani 1 1 d .
C6 C 0.22269(6) -0.00260(15) 0.42914(4) 0.0350(3) Uani 1 1 d .
H6 H 0.2457 -0.0872 0.4134 0.042 Uiso 1 1 calc R
C7 C 0.20175(6) 0.16103(14) 0.40315(4) 0.0310(3) Uani 1 1 d .
C8 C 0.05209(6) 0.10931(14) 0.05786(4) 0.0295(3) Uani 1 1 d .
C9 C 0.12489(6) 0.32140(14) 0.11765(4) 0.0335(3) Uani 1 1 d .
H9 H 0.1410 0.4392 0.1244 0.040 Uiso 1 1 calc R
C10 C 0.07774(6) 0.28415(14) 0.06990(4) 0.0364(3) Uani 1 1 d .
H10 H 0.0626 0.3765 0.0451 0.044 Uiso 1 1 calc R
C11 C 0.15246(7) 0.24621(19) 0.47640(5) 0.0486(4) Uani 1 1 d .
H11 H 0.1281 0.3278 0.4920 0.058 Uiso 1 1 calc R
C12 C 0.21631(6) 0.20075(14) 0.35033(4) 0.0289(3) Uani 1 1 d .
C13 C 0.16724(6) 0.28742(16) 0.42801(4) 0.0389(3) Uani 1 1 d .
C14 C 0.17404(7) 0.08417(19) 0.50123(5) 0.0489(4) Uani 1 1 d .
H14 H 0.1646 0.0577 0.5340 0.059 Uiso 1 1 calc R
C16 C 0.05495(12) 0.2938(2) 0.23270(8) 0.2623(15) Uani 1 1 d DU
H16 H 0.0491 0.2673 0.1964 0.315 Uiso 1 1 calc R
C17 C 0.0000 -0.0889(2) 0.2500 0.7137(18) Uani 1 2 d SDU
Ce1 Ce 0.202608(3) 0.537161(7) 0.248942(2) 0.01950(1) Uani 1 1 d .
H1M H 0.1604 0.4661 0.3770 0.023 Uiso 1 1 d RD
H1W H 0.1737 0.8338 0.3301 0.023 Uiso 1 1 d RD
H2W H 0.1210 0.7367 0.3240 0.023 Uiso 1 1 d RD
H3W H 0.0487 0.4882 0.3596 0.023 Uiso 1 1 d RD
H4W H 0.0277 0.7059 0.3789 0.023 Uiso 1 1 d RD
N1 N 0.23072(6) -0.20081(13) 0.50886(4) 0.0434(3) Uani 1 1 d .
N2 N 0.00692(5) 0.08100(12) 0.00571(3) 0.0329(3) Uani 1 1 d .
N3 N 0.02531(15) 0.1246(3) 0.26786(8) 0.31573(18) Uani 1 1 d DU
O1 O 0.03118(6) 0.63473(16) 0.34097(4) 0.0816(4) Uani 1 1 d D
O2 O 0.19700(4) 0.23033(9) 0.20192(3) 0.0278(2) Uani 1 1 d .
O3 O 0.19110(4) -0.13058(9) 0.22445(3) 0.0269(2) Uani 1 1 d .
O4 O 0.10987(4) -0.29187(10) 0.17297(3) 0.0363(2) Uani 1 1 d .
O5 O 0.16038(5) 0.73028(11) 0.31751(3) 0.0561(3) Uani 1 1 d D
O6 O 0.20535(5) 0.36010(10) 0.33246(3) 0.0432(2) Uani 1 1 d .
O7 O 0.23798(4) 0.07631(10) 0.32581(3) 0.0309(2) Uani 1 1 d .
O8 O 0.14794(5) 0.45176(11) 0.40600(3) 0.0516(3) Uani 1 1 d D
O9 O 0.08168(6) 0.43906(19) 0.24582(5) 0.1259(5) Uani 1 1 d D
C18 C 0.0228(2) 0.1293(4) 0.33334(6) 0.4187(17) Uani 1 1 d DU
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'
Ce Ce -0.2486 2.6331 '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
C8 C1 C5 121.92(9) . .
C14 C2 C6 119.64(11) . .
C14 C2 N1 115.85(11) . .
C6 C2 N1 124.51(11) . .
O2 C3 C9 119.99(9) . .
O2 C3 C5 123.62(8) . .
C9 C3 C5 116.39(8) . .
O4 C4 O3 118.05(8) . .
O4 C4 C5 121.12(8) . .
O3 C4 C5 120.82(8) . .
O4 C4 Ce1 61.89(5) . 1_545
O3 C4 Ce1 57.07(5) . 1_545
C5 C4 Ce1 169.65(7) . 1_545
C1 C5 C3 120.14(8) . .
C1 C5 C4 116.70(8) . .
C3 C5 C4 123.15(8) . .
C2 C6 C7 120.43(11) . .
C6 C7 C13 118.70(10) . .
C6 C7 C12 120.16(10) . .
C13 C7 C12 121.14(9) . .
C1 C8 C10 118.25(8) . .
C1 C8 N2 124.86(9) . .
C10 C8 N2 116.84(9) . .
C10 C9 C3 122.35(10) . .
C9 C10 C8 120.89(9) . .
C14 C11 C13 119.63(13) . .
O7 C12 O6 123.48(10) . .
O7 C12 C7 119.22(9) . .
O6 C12 C7 117.30(10) . .
O8 C13 C11 117.92(12) . .
O8 C13 C7 121.73(11) . .
C11 C13 C7 120.35(11) . .
C11 C14 C2 121.20(12) . .
O9 C16 N3 132.99(17) . .
N3 C17 N3 40.87(16) . 2
O3 Ce1 O6 70.47(3) 4 .
O3 Ce1 O9 129.43(4) 4 .
O6 Ce1 O9 71.43(3) . .
O3 Ce1 O2 67.60(2) 4 4
O6 Ce1 O2 91.73(2) . 4
O9 Ce1 O2 144.77(4) . 4
O3 Ce1 O7 73.65(2) 4 4
O6 Ce1 O7 143.41(3) . 4
O9 Ce1 O7 130.57(3) . 4
O2 Ce1 O7 81.06(2) 4 4
O3 Ce1 O3 126.030(16) 4 1_565
O6 Ce1 O3 134.52(2) . 1_565
O9 Ce1 O3 104.37(4) . 1_565
O2 Ce1 O3 65.39(2) 4 1_565
O7 Ce1 O3 74.33(2) 4 1_565
O3 Ce1 O2 66.64(2) 4 .
O6 Ce1 O2 85.97(2) . .
O9 Ce1 O2 78.76(4) . .
O2 Ce1 O2 132.099(13) 4 .
O7 Ce1 O2 73.37(2) 4 .
O3 Ce1 O2 138.84(2) 1_565 .
O3 Ce1 O5 121.02(2) 4 .
O6 Ce1 O5 68.96(3) . .
O9 Ce1 O5 72.33(4) . .
O2 Ce1 O5 72.76(3) 4 .
O7 Ce1 O5 139.49(3) 4 .
O3 Ce1 O5 66.88(3) 1_565 .
O2 Ce1 O5 146.38(3) . .
O3 Ce1 O4 149.04(3) 4 1_565
O6 Ce1 O4 137.67(3) . 1_565
O9 Ce1 O4 68.17(3) . 1_565
O2 Ce1 O4 114.48(2) 4 1_565
O7 Ce1 O4 76.22(2) 4 1_565
O3 Ce1 O4 49.49(2) 1_565 1_565
O2 Ce1 O4 98.01(2) . 1_565
O5 Ce1 O4 87.02(2) . 1_565
O3 Ce1 C4 140.60(3) 4 1_565
O6 Ce1 C4 145.04(3) . 1_565
O9 Ce1 C4 87.75(4) . 1_565
O2 Ce1 C4 89.72(2) 4 1_565
O7 Ce1 C4 71.18(3) 4 1_565
O3 Ce1 C4 24.97(2) 1_565 1_565
O2 Ce1 C4 117.93(2) . 1_565
O5 Ce1 C4 78.21(3) . 1_565
O4 Ce1 C4 24.77(2) 1_565 1_565
O3 Ce1 Ce1 95.082(17) 4 4
O6 Ce1 Ce1 123.164(17) . 4
O9 Ce1 Ce1 133.81(3) . 4
O2 Ce1 Ce1 35.539(14) 4 4
O7 Ce1 Ce1 66.656(16) 4 4
O3 Ce1 Ce1 31.811(15) 1_565 4
O2 Ce1 Ce1 139.449(18) . 4
O5 Ce1 Ce1 74.17(2) . 4
O4 Ce1 Ce1 79.268(16) 1_565 4
C4 Ce1 Ce1 54.685(17) 1_565 4
O3 Ce1 Ce1 33.745(16) 4 4_545
O6 Ce1 Ce1 67.341(19) . 4_545
O9 Ce1 Ce1 100.17(3) . 4_545
O2 Ce1 Ce1 101.335(16) 4 4_545
O7 Ce1 Ce1 78.930(16) 4 4_545
O3 Ce1 Ce1 151.598(18) 1_565 4_545
O2 Ce1 Ce1 34.909(14) . 4_545
O5 Ce1 Ce1 135.668(18) . 4_545
O4 Ce1 Ce1 131.862(16) 1_565 4_545
C4 Ce1 Ce1 146.078(19) 1_565 4_545
Ce1 Ce1 Ce1 126.018(3) 4 4_545
N1 N1 C2 114.61(13) 7_546 .
N2 N2 C8 114.24(10) 5 .
N3 N3 C17 69.56(8) 2 .
N3 N3 C18 122.2(4) 2 .
C17 N3 C18 101.83(16) . .
N3 N3 C16 86.27(18) 2 .
C17 N3 C16 130.75(14) . .
C18 N3 C16 127.15(17) . .
C3 O2 Ce1 126.69(6) . 4_545
C3 O2 Ce1 123.66(6) . .
Ce1 O2 Ce1 109.55(2) 4_545 .
C4 O3 Ce1 136.20(6) . 4_545
C4 O3 Ce1 97.96(6) . 1_545
Ce1 O3 Ce1 114.44(2) 4_545 1_545
C4 O4 Ce1 93.34(5) . 1_545
C12 O6 Ce1 139.72(7) . .
C12 O7 Ce1 139.37(7) . 4_545
C16 O9 Ce1 128.29(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C8 1.3805(14) .
C1 C5 1.3867(12) .
C2 C14 1.3811(19) .
C2 C6 1.3896(17) .
C2 N1 1.4249(15) .
C3 O2 1.3290(10) .
C3 C9 1.4040(13) .
C3 C5 1.4311(13) .
C4 O4 1.2542(12) .
C4 O3 1.2738(10) .
C4 C5 1.4768(13) .
C4 Ce1 2.9885(9) 1_545
C6 C7 1.3933(15) .
C7 C13 1.4104(17) .
C7 C12 1.4906(15) .
C8 C10 1.3961(15) .
C8 N2 1.4241(12) .
C9 C10 1.3679(14) .
C11 C14 1.3738(19) .
C11 C13 1.3858(18) .
C12 O7 1.2551(13) .
C12 O6 1.2634(13) .
C13 O8 1.3541(14) .
C16 O9 1.208(2) .
C16 N3 1.736(3) .
C17 N3 1.686(2) .
C17 N3 1.686(2) 2
Ce1 O3 2.4033(7) 4
Ce1 O6 2.5037(8) .
Ce1 O9 2.5082(12) .
Ce1 O2 2.5207(7) 4
Ce1 O7 2.5265(8) 4
Ce1 O3 2.5327(7) 1_565
Ce1 O2 2.5602(7) .
Ce1 O5 2.5767(9) .
Ce1 O4 2.6406(7) 1_565
Ce1 C4 2.9885(9) 1_565
Ce1 Ce1 4.15071(10) 4
Ce1 Ce1 4.15071(11) 4_545
N1 N1 1.231(2) 7_546
N2 N2 1.2476(18) 5
N3 N3 1.177(5) 2
N3 C18 1.698(3) .
O2 Ce1 2.5207(7) 4_545
O3 Ce1 2.4033(7) 4_545
O3 Ce1 2.5327(7) 1_545
O4 Ce1 2.6406(7) 1_545
O7 Ce1 2.5265(8) 4_545
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_4
C8 C1 C5 C3 -0.57(17) . .
C8 C1 C5 C4 -179.56(10) . .
O2 C3 C5 C1 -177.85(10) . .
C9 C3 C5 C1 2.23(16) . .
O2 C3 C5 C4 1.07(17) . .
C9 C3 C5 C4 -178.84(10) . .
O4 C4 C5 C1 -8.86(16) . .
O3 C4 C5 C1 170.29(10) . .
Ce1 C4 C5 C1 95.2(3) 1_545 .
O4 C4 C5 C3 172.18(10) . .
O3 C4 C5 C3 -8.67(16) . .
Ce1 C4 C5 C3 -83.8(4) 1_545 .
C14 C2 C6 C7 1.35(17) . .
N1 C2 C6 C7 -177.92(10) . .
C2 C6 C7 C13 0.26(16) . .
C2 C6 C7 C12 179.80(10) . .
C5 C1 C8 C10 -1.50(18) . .
C5 C1 C8 N2 175.91(11) . .
O2 C3 C9 C10 178.17(11) . .
C5 C3 C9 C10 -1.91(18) . .
C3 C9 C10 C8 -0.1(2) . .
C1 C8 C10 C9 1.86(19) . .
N2 C8 C10 C9 -175.76(11) . .
C6 C7 C12 O7 10.62(15) . .
C13 C7 C12 O7 -169.86(10) . .
C6 C7 C12 O6 -169.95(10) . .
C13 C7 C12 O6 9.58(15) . .
C14 C11 C13 O8 -177.01(11) . .
C14 C11 C13 C7 2.59(18) . .
C6 C7 C13 O8 177.35(10) . .
C12 C7 C13 O8 -2.19(16) . .
C6 C7 C13 C11 -2.24(16) . .
C12 C7 C13 C11 178.23(10) . .
C13 C11 C14 C2 -0.95(19) . .
C6 C2 C14 C11 -1.02(19) . .
N1 C2 C14 C11 178.31(11) . .
C14 C2 N1 N1 -171.54(13) . 7_546
C6 C2 N1 N1 7.75(19) . 7_546
C1 C8 N2 N2 -6.8(2) . 5
C10 C8 N2 N2 170.67(13) . 5
N3 C17 N3 C18 120.2(4) 2 .
N3 C17 N3 C16 -65.6(2) 2 .
O9 C16 N3 N3 132.2(3) . 2
O9 C16 N3 C17 -168.9(2) . .
O9 C16 N3 C18 3.9(4) . .
C9 C3 O2 Ce1 -141.86(9) . 4_545
C5 C3 O2 Ce1 38.23(14) . 4_545
C9 C3 O2 Ce1 34.06(14) . .
C5 C3 O2 Ce1 -145.85(8) . .
O3 Ce1 O2 C3 -161.06(8) 4 .
O6 Ce1 O2 C3 128.49(8) . .
O9 Ce1 O2 C3 56.64(8) . .
O2 Ce1 O2 C3 -142.82(8) 4 .
O7 Ce1 O2 C3 -82.06(8) 4 .
O3 Ce1 O2 C3 -42.41(9) 1_565 .
O5 Ce1 O2 C3 87.59(8) . .
O4 Ce1 O2 C3 -9.11(8) 1_565 .
C4 Ce1 O2 C3 -24.70(9) 1_565 .
Ce1 Ce1 O2 C3 -91.94(8) 4 .
Ce1 Ce1 O2 C3 -176.53(9) 4_545 .
O3 Ce1 O2 Ce1 15.47(3) 4 4_545
O6 Ce1 O2 Ce1 -54.98(3) . 4_545
O9 Ce1 O2 Ce1 -126.83(4) . 4_545
O2 Ce1 O2 Ce1 33.71(3) 4 4_545
O7 Ce1 O2 Ce1 94.46(3) 4 4_545
O3 Ce1 O2 Ce1 134.12(3) 1_565 4_545
O5 Ce1 O2 Ce1 -95.88(5) . 4_545
O4 Ce1 O2 Ce1 167.42(3) 1_565 4_545
C4 Ce1 O2 Ce1 151.83(3) 1_565 4_545
Ce1 Ce1 O2 Ce1 84.59(3) 4 4_545
O4 C4 O3 Ce1 149.67(8) . 4_545
C5 C4 O3 Ce1 -29.50(15) . 4_545
Ce1 C4 O3 Ce1 138.55(9) 1_545 4_545
O4 C4 O3 Ce1 11.12(10) . 1_545
C5 C4 O3 Ce1 -168.06(8) . 1_545
O3 C4 O4 Ce1 -10.57(10) . 1_545
C5 C4 O4 Ce1 168.60(9) . 1_545
O7 C12 O6 Ce1 7.42(18) . .
C7 C12 O6 Ce1 -171.99(7) . .
O3 Ce1 O6 C12 -50.55(11) 4 .
O9 Ce1 O6 C12 95.56(12) . .
O2 Ce1 O6 C12 -116.01(11) 4 .
O7 Ce1 O6 C12 -38.74(13) 4 .
O3 Ce1 O6 C12 -172.32(10) 1_565 .
O2 Ce1 O6 C12 16.07(11) . .
O5 Ce1 O6 C12 173.22(12) . .
O4 Ce1 O6 C12 113.55(11) 1_565 .
C4 Ce1 O6 C12 152.01(10) 1_565 .
Ce1 Ce1 O6 C12 -133.68(10) 4 .
Ce1 Ce1 O6 C12 -14.45(11) 4_545 .
O6 C12 O7 Ce1 17.94(16) . 4_545
C7 C12 O7 Ce1 -162.67(7) . 4_545
N3 C16 O9 Ce1 113.3(3) . .
O3 Ce1 O9 C16 -37.92(16) 4 .
O6 Ce1 O9 C16 -80.79(15) . .
O2 Ce1 O9 C16 -145.92(13) 4 .
O7 Ce1 O9 C16 65.04(16) 4 .
O3 Ce1 O9 C16 146.56(14) 1_565 .
O2 Ce1 O9 C16 8.70(14) . .
O5 Ce1 O9 C16 -153.91(15) . .
O4 Ce1 O9 C16 112.15(15) 1_565 .
C4 Ce1 O9 C16 127.75(15) 1_565 .
Ce1 Ce1 O9 C16 160.69(13) 4 .
Ce1 Ce1 O9 C16 -19.03(15) 4_545 .
