#------------------------------------------------------------------------------
#$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/87/7058707.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_7058707
loop_
_publ_author_name
'He, Jiangrong'
'Wang, Jun'
'Xu, Qiuxia'
'Wu, Xiren'
'Dutta, Archisman'
'Kumar, Abhinav'
'Muddassir, Mohd.'
'Alowais, Ahmad'
'Abduh, Naaser A. Y.'
_publ_section_title
;
 Syntheses and crystal structures of new dinuclear lanthanide complexes
 based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses
 and photoluminescence sensing
;
_journal_issue                   34
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13499
_journal_paper_doi               10.1039/C9NJ02213A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C74 H70 Ce2 N4 O18, 4(H2 O)'
_chemical_formula_sum            'C74 H78 Ce2 N4 O22'
_chemical_formula_weight         1655.64
_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_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-07-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-07-25 deposited with the CCDC.    2019-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                88.418(3)
_cell_angle_beta                 95.900(3)
_cell_angle_gamma                111.890(3)
_cell_formula_units_Z            1
_cell_length_a                   11.4683(17)
_cell_length_b                   12.1254(18)
_cell_length_c                   15.092(2)
_cell_measurement_reflns_used    1121
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.8362
_cell_measurement_theta_min      3.0939
_cell_volume                     1936.9(5)
_computing_cell_refinement       APEX
_computing_data_collection       APEX
_computing_data_reduction        APEX
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_av_unetI/netI     0.1816
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12150
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.694
_diffrn_reflns_theta_min         1.810
_exptl_absorpt_coefficient_mu    1.234
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_description       prism
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.921
_refine_diff_density_min         -2.023
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         8982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.897
_refine_ls_R_factor_all          0.1696
_refine_ls_R_factor_gt           0.0853
_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)+(0.1149P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1912
_refine_ls_wR_factor_ref         0.2361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4137
_reflns_number_total             8982
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj02213a2.cif
_cod_data_source_block           ce
_cod_depositor_comments
'Adding full bibliography for 7058704--7058713.cif.'
_cod_database_code               7058707
_shelx_shelxl_version_number     2016/4
_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_max   0.866
_shelx_estimated_absorpt_t_min   0.782
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Riding coordinates:
 O2W(H2WA,H2WB)
2.b Free rotating group:
 O1W(H1WA,H1WB)
2.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C11(H11A,H11B), C12(H12A,H12B), C20(H20A,H20B),
 C21(H21A,H21B)
2.d Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6A), C8(H8), C9(H9A), C14(H14), C15(H15), C17(H17), C18(H18),
 C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
  C34(H34), C35(H35), C36(H36), C37(H37)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3), O6(H6), O9(H9)
;
_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
Ce1 Ce 0.62584(5) 0.48687(5) 0.60327(3) 0.0465(2) Uani 1 1 d .
O1 O 0.6097(7) 0.3522(6) 0.4768(5) 0.067(2) Uani 1 1 d .
O2 O 0.4603(7) 0.3607(6) 0.3672(4) 0.0635(19) Uani 1 1 d .
O3 O 0.8077(9) -0.0126(7) 0.0610(5) 0.084(2) Uani 1 1 d .
H3 H 0.834800 -0.063066 0.084592 0.125 Uiso 1 1 calc GR
O4 O 0.6033(7) 0.3002(6) 0.7009(5) 0.0640(19) Uani 1 1 d .
O5 O 0.5005(7) 0.4075(6) 0.7488(4) 0.0568(17) Uani 1 1 d .
O6 O 0.6903(7) 0.5825(7) 1.1607(5) 0.0672(19) Uani 1 1 d .
H6 H 0.632761 0.573524 1.191627 0.101 Uiso 1 1 calc GR
O7 O 0.7867(7) 0.6706(6) 0.5334(4) 0.0615(18) Uani 1 1 d .
O8 O 0.6020(7) 0.5997(6) 0.4533(4) 0.0608(18) Uani 1 1 d .
O9 O 0.7068(10) 1.1309(9) 0.7399(5) 0.099(3) Uani 1 1 d .
H9 H 0.699419 1.194742 0.722783 0.148 Uiso 1 1 calc GR
O1W O 0.8839(10) -0.1845(10) 0.1282(8) 0.113(3) Uani 1 1 d .
H1WA H 0.869238 -0.213159 0.179736 0.170 Uiso 1 1 d G
H1WB H 0.944695 -0.202889 0.114928 0.170 Uiso 1 1 d G
O2W O 1.1298(9) -0.1492(11) 0.0974(6) 0.121(4) Uani 1 1 d .
H2WA H 1.158795 -0.085895 0.068882 0.181 Uiso 1 1 d R
H2WB H 1.174835 -0.144775 0.145722 0.181 Uiso 1 1 d R
N1 N 0.7910(8) 0.6013(8) 0.7423(5) 0.064(2) Uani 1 1 d .
N2 N 0.8549(8) 0.4596(7) 0.6332(6) 0.060(2) Uani 1 1 d .
C1 C 0.5463(10) 0.3229(9) 0.3995(7) 0.056(3) Uani 1 1 d .
C2 C 0.5731(12) 0.2362(12) 0.3406(8) 0.088(4) Uani 1 1 d .
H2A H 0.545753 0.158733 0.368214 0.106 Uiso 1 1 calc R
H2B H 0.522970 0.228485 0.283614 0.106 Uiso 1 1 calc R
C3 C 0.7084(11) 0.2717(11) 0.3244(8) 0.080(4) Uani 1 1 d .
H3A H 0.756769 0.269939 0.380641 0.095 Uiso 1 1 calc R
H3B H 0.738452 0.353244 0.304006 0.095 Uiso 1 1 calc R
C4 C 0.7358(9) 0.1944(9) 0.2563(7) 0.056(3) Uani 1 1 d .
C5 C 0.8199(10) 0.1345(10) 0.2783(7) 0.064(3) Uani 1 1 d .
H5 H 0.859854 0.141346 0.335837 0.077 Uiso 1 1 calc R
C6 C 0.8440(11) 0.0653(10) 0.2154(7) 0.067(3) Uani 1 1 d .
H6A H 0.898925 0.026342 0.231924 0.080 Uiso 1 1 calc R
C7 C 0.7864(10) 0.0539(9) 0.1276(6) 0.059(3) Uani 1 1 d .
C8 C 0.7052(11) 0.1144(10) 0.1043(7) 0.066(3) Uani 1 1 d .
H8 H 0.666352 0.108501 0.046456 0.079 Uiso 1 1 calc R
C9 C 0.6823(11) 0.1840(10) 0.1681(7) 0.069(3) Uani 1 1 d .
H9A H 0.629297 0.224719 0.150941 0.083 Uiso 1 1 calc R
C10 C 0.5243(10) 0.3121(9) 0.7505(6) 0.054(2) Uani 1 1 d .
C11 C 0.4572(10) 0.2112(9) 0.8123(6) 0.057(3) Uani 1 1 d .
H11A H 0.428598 0.136312 0.779898 0.069 Uiso 1 1 calc R
H11B H 0.383364 0.222391 0.829937 0.069 Uiso 1 1 calc R
C12 C 0.5426(10) 0.2044(9) 0.8968(6) 0.060(3) Uani 1 1 d .
H12A H 0.499092 0.131523 0.927519 0.072 Uiso 1 1 calc R
H12B H 0.618865 0.199017 0.878397 0.072 Uiso 1 1 calc R
C13 C 0.5806(10) 0.3074(9) 0.9628(6) 0.055(3) Uani 1 1 d .
C14 C 0.7033(10) 0.3934(10) 0.9763(7) 0.061(3) Uani 1 1 d .
H14 H 0.763873 0.390834 0.940689 0.073 Uiso 1 1 calc R
C15 C 0.7377(10) 0.4823(10) 1.0411(7) 0.062(3) Uani 1 1 d .
H15 H 0.820587 0.536492 1.048121 0.075 Uiso 1 1 calc R
C16 C 0.6508(10) 0.4922(9) 1.0959(6) 0.053(3) Uani 1 1 d .
C17 C 0.5261(10) 0.4091(9) 1.0834(6) 0.057(3) Uani 1 1 d .
H17 H 0.465473 0.413696 1.117998 0.069 Uiso 1 1 calc R
C18 C 0.4935(11) 0.3188(10) 1.0181(7) 0.065(3) Uani 1 1 d .
H18 H 0.410786 0.264130 1.011093 0.078 Uiso 1 1 calc R
C19 C 0.7095(10) 0.6817(9) 0.4698(6) 0.050(2) Uani 1 1 d .
C20 C 0.7460(11) 0.7943(9) 0.4141(6) 0.064(3) Uani 1 1 d .
H20A H 0.776140 0.778379 0.359987 0.077 Uiso 1 1 calc R
H20B H 0.670259 0.810665 0.396807 0.077 Uiso 1 1 calc R
C21 C 0.8454(13) 0.9057(12) 0.4577(8) 0.091(4) Uani 1 1 d .
H21A H 0.872730 0.965793 0.412529 0.110 Uiso 1 1 calc R
H21B H 0.918020 0.887508 0.481331 0.110 Uiso 1 1 calc R
C22 C 0.7999(12) 0.9579(10) 0.5340(9) 0.075(3) Uani 1 1 d .
C23 C 0.7194(14) 1.0193(13) 0.5132(8) 0.091(4) Uani 1 1 d .
H23 H 0.688321 1.021207 0.454018 0.109 Uiso 1 1 calc R
C24 C 0.6822(12) 1.0801(10) 0.5795(8) 0.078(3) Uani 1 1 d .
H24 H 0.629828 1.121968 0.564221 0.094 Uiso 1 1 calc R
C25 C 0.7285(12) 1.0728(11) 0.6668(8) 0.074(3) Uani 1 1 d .
C26 C 0.8011(13) 1.0025(12) 0.6867(9) 0.090(4) Uani 1 1 d .
H26 H 0.827330 0.993738 0.745920 0.109 Uiso 1 1 calc R
C27 C 0.8349(15) 0.9457(12) 0.6210(9) 0.097(5) Uani 1 1 d .
H27 H 0.881986 0.898895 0.636807 0.117 Uiso 1 1 calc R
C28 C 0.7651(11) 0.6806(10) 0.7925(7) 0.067(3) Uani 1 1 d .
H28 H 0.694531 0.698759 0.773998 0.081 Uiso 1 1 calc R
C29 C 0.8413(13) 0.7367(11) 0.8718(8) 0.083(4) Uani 1 1 d .
H29 H 0.822854 0.792871 0.902265 0.100 Uiso 1 1 calc R
C30 C 0.9413(12) 0.7065(12) 0.9018(8) 0.084(4) Uani 1 1 d .
H30 H 0.988308 0.737742 0.955453 0.101 Uiso 1 1 calc R
C31 C 0.9731(10) 0.6283(11) 0.8518(7) 0.069(3) Uani 1 1 d .
H31 H 1.043495 0.609944 0.870782 0.083 Uiso 1 1 calc R
C32 C 0.8980(10) 0.5773(10) 0.7725(7) 0.062(3) Uani 1 1 d .
C33 C 0.9280(10) 0.4945(9) 0.7126(7) 0.058(3) Uani 1 1 d .
C34 C 1.0341(12) 0.4650(12) 0.7336(9) 0.088(4) Uani 1 1 d .
H34 H 1.085593 0.490768 0.786555 0.105 Uiso 1 1 calc R
C35 C 1.0602(14) 0.3955(15) 0.6720(11) 0.111(5) Uani 1 1 d .
H35 H 1.129447 0.373346 0.684760 0.133 Uiso 1 1 calc R
C36 C 0.9852(13) 0.3592(13) 0.5929(9) 0.095(4) Uani 1 1 d .
H36 H 1.004195 0.314316 0.551755 0.114 Uiso 1 1 calc R
C37 C 0.8817(11) 0.3908(11) 0.5760(7) 0.074(3) Uani 1 1 d .
H37 H 0.828714 0.363979 0.523797 0.089 Uiso 1 1 calc R
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
O1 Ce1 Ce1 68.69(16) . 2_666
O1 Ce1 O4 84.3(2) . .
O1 Ce1 O5 122.1(2) . .
O1 Ce1 O7 93.7(2) . .
O1 Ce1 O8 72.4(2) . .
O1 Ce1 N1 139.6(3) . .
O1 Ce1 N2 79.2(2) . .
O1 Ce1 C10 102.2(3) . .
O1 Ce1 C19 84.8(2) . .
O2 Ce1 Ce1 67.92(16) 2_666 2_666
O2 Ce1 O1 136.5(2) 2_666 .
O2 Ce1 O4 125.2(2) 2_666 .
O2 Ce1 O5 75.7(2) 2_666 .
O2 Ce1 O7 79.5(2) 2_666 .
O2 Ce1 O8 70.7(2) 2_666 .
O2 Ce1 O8 74.4(2) 2_666 2_666
O2 Ce1 N1 80.6(2) 2_666 .
O2 Ce1 N2 137.2(3) 2_666 .
O2 Ce1 C10 100.7(3) 2_666 .
O2 Ce1 C19 71.0(2) 2_666 .
O4 Ce1 Ce1 126.63(17) . 2_666
O4 Ce1 O5 49.58(19) . .
O4 Ce1 O8 155.0(2) . .
O4 Ce1 N1 82.8(3) . .
O4 Ce1 N2 69.8(2) . .
O4 Ce1 C10 24.8(2) . .
O4 Ce1 C19 163.2(2) . .
O5 Ce1 Ce1 108.74(14) . 2_666
O5 Ce1 N2 107.6(2) . .
O5 Ce1 C10 25.0(2) . .
O5 Ce1 C19 146.7(2) . .
O7 Ce1 Ce1 84.99(15) . 2_666
O7 Ce1 O4 143.9(2) . .
O7 Ce1 O5 144.1(2) . .
O7 Ce1 O8 49.7(2) . .
O7 Ce1 N1 75.6(2) . .
O7 Ce1 N2 74.4(2) . .
O7 Ce1 C10 155.4(2) . .
O7 Ce1 C19 25.0(2) . .
O8 Ce1 Ce1 38.29(15) 2_666 2_666
O8 Ce1 Ce1 35.55(16) . 2_666
O8 Ce1 O1 73.8(2) 2_666 .
O8 Ce1 O4 91.1(2) 2_666 .
O8 Ce1 O5 74.4(2) 2_666 .
O8 Ce1 O5 138.6(2) . .
O8 Ce1 O7 123.0(2) 2_666 .
O8 Ce1 O8 73.8(2) 2_666 .
O8 Ce1 N1 144.4(2) 2_666 .
O8 Ce1 N1 121.1(2) . .
O8 Ce1 N2 113.4(2) . .
O8 Ce1 N2 148.4(2) 2_666 .
O8 Ce1 C10 153.7(3) . .
O8 Ce1 C10 79.9(2) 2_666 .
O8 Ce1 C19 98.0(3) 2_666 .
O8 Ce1 C19 25.0(2) . .
N1 Ce1 Ce1 145.56(19) . 2_666
N1 Ce1 O5 75.1(2) . .
N1 Ce1 N2 60.4(3) . .
N1 Ce1 C10 80.2(3) . .
N1 Ce1 C19 97.4(3) . .
N2 Ce1 Ce1 140.47(18) . 2_666
N2 Ce1 C10 90.1(3) . .
N2 Ce1 C19 95.7(3) . .
C10 Ce1 Ce1 118.17(19) . 2_666
C19 Ce1 Ce1 60.0(2) . 2_666
C19 Ce1 C10 171.7(2) . .
C1 O1 Ce1 137.6(6) . .
C1 O2 Ce1 140.1(7) . 2_666
C10 O4 Ce1 96.5(6) . .
C10 O5 Ce1 92.1(6) . .
C19 O7 Ce1 96.0(6) . .
Ce1 O8 Ce1 106.2(2) 2_666 .
C19 O8 Ce1 155.9(6) . 2_666
C19 O8 Ce1 92.9(6) . .
C28 N1 Ce1 119.7(7) . .
C28 N1 C32 116.2(9) . .
C32 N1 Ce1 123.8(7) . .
C33 N2 Ce1 120.6(6) . .
C37 N2 Ce1 118.3(7) . .
C37 N2 C33 119.8(9) . .
O1 C1 C2 118.9(9) . .
O2 C1 O1 125.0(9) . .
O2 C1 C2 116.0(10) . .
C3 C2 C1 114.5(10) . .
C2 C3 C4 115.6(10) . .
C5 C4 C3 122.3(10) . .
C9 C4 C3 121.1(9) . .
C9 C4 C5 116.6(9) . .
C6 C5 C4 121.4(10) . .
C5 C6 C7 120.9(9) . .
O3 C7 C6 123.9(9) . .
C8 C7 O3 117.7(9) . .
C8 C7 C6 118.5(9) . .
C7 C8 C9 120.0(10) . .
C4 C9 C8 122.6(10) . .
O4 C10 Ce1 58.7(5) . .
O4 C10 O5 120.8(9) . .
O4 C10 C11 119.7(9) . .
O5 C10 Ce1 63.0(5) . .
O5 C10 C11 119.5(9) . .
C11 C10 Ce1 170.4(7) . .
C10 C11 C12 112.9(9) . .
C13 C12 C11 116.2(8) . .
C14 C13 C12 123.4(9) . .
C14 C13 C18 115.5(10) . .
C18 C13 C12 121.0(10) . .
C15 C14 C13 122.3(9) . .
C14 C15 C16 121.8(10) . .
O6 C16 C15 119.6(9) . .
O6 C16 C17 122.7(9) . .
C15 C16 C17 117.7(10) . .
C16 C17 C18 119.7(10) . .
C17 C18 C13 123.1(11) . .
O7 C19 Ce1 59.0(5) . .
O7 C19 C20 120.1(10) . .
O8 C19 Ce1 62.1(5) . .
O8 C19 O7 120.1(9) . .
O8 C19 C20 119.8(9) . .
C20 C19 Ce1 169.5(6) . .
C21 C20 C19 116.7(9) . .
C20 C21 C22 114.2(11) . .
C23 C22 C21 119.4(12) . .
C27 C22 C21 122.5(11) . .
C27 C22 C23 118.1(12) . .
C22 C23 C24 122.9(12) . .
C25 C24 C23 116.6(11) . .
C24 C25 O9 124.5(10) . .
C24 C25 C26 119.2(11) . .
C26 C25 O9 116.3(11) . .
C27 C26 C25 122.3(13) . .
C22 C27 C26 120.5(13) . .
N1 C28 C29 123.3(11) . .
C30 C29 C28 118.8(12) . .
C29 C30 C31 119.9(11) . .
C30 C31 C32 119.7(10) . .
N1 C32 C31 122.0(10) . .
N1 C32 C33 114.8(9) . .
C31 C32 C33 123.2(9) . .
N2 C33 C32 117.7(8) . .
N2 C33 C34 121.0(10) . .
C34 C33 C32 121.0(11) . .
C33 C34 C35 117.5(12) . .
C36 C35 C34 121.2(12) . .
C37 C36 C35 118.6(12) . .
N2 C37 C36 121.8(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 Ce1 4.1147(11) 2_666
Ce1 O1 2.494(7) .
Ce1 O2 2.467(7) 2_666
Ce1 O4 2.611(7) .
Ce1 O5 2.706(6) .
Ce1 O7 2.585(7) .
Ce1 O8 2.491(7) 2_666
Ce1 O8 2.655(7) .
Ce1 N1 2.701(9) .
Ce1 N2 2.759(8) .
Ce1 C10 3.036(10) .
Ce1 C19 3.000(10) .
O1 C1 1.292(11) .
O2 Ce1 2.467(7) 2_666
O2 C1 1.284(11) .
O3 C7 1.401(11) .
O4 C10 1.282(11) .
O5 C10 1.283(11) .
O6 C16 1.399(11) .
O7 C19 1.276(11) .
O8 Ce1 2.491(7) 2_666
O8 C19 1.268(12) .
O9 C25 1.416(12) .
N1 C28 1.373(13) .
N1 C32 1.394(12) .
N2 C33 1.369(13) .
N2 C37 1.349(12) .
C1 C2 1.529(13) .
C2 C3 1.492(15) .
C3 C4 1.541(13) .
C4 C5 1.419(14) .
C4 C9 1.395(14) .
C5 C6 1.396(14) .
C6 C7 1.405(14) .
C7 C8 1.400(14) .
C8 C9 1.404(14) .
C10 C11 1.530(13) .
C11 C12 1.546(13) .
C12 C13 1.521(14) .
C13 C14 1.403(14) .
C13 C18 1.412(14) .
C14 C15 1.391(15) .
C15 C16 1.399(13) .
C16 C17 1.406(14) .
C17 C18 1.411(14) .
C19 C20 1.526(13) .
C20 C21 1.518(16) .
C21 C22 1.552(16) .
C22 C23 1.395(16) .
C22 C27 1.352(16) .
C23 C24 1.446(16) .
C24 C25 1.382(15) .
C25 C26 1.404(15) .
C26 C27 1.388(16) .
C28 C29 1.430(15) .
C29 C30 1.361(17) .
C30 C31 1.399(16) .
C31 C32 1.410(14) .
C32 C33 1.522(15) .
C33 C34 1.395(15) .
C34 C35 1.396(18) .
C35 C36 1.376(18) .
C36 C37 1.376(15) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168349423
