# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2223795'
loop_
_audit_author_name
_audit_author_address
'Jiong-Peng Zhao'
;Tianjin University Of Technology
China
;
_audit_update_record             
;
2022-12-02 deposited with the CCDC.	2023-03-15 downloaded from the CCDC.
;
_audit_creation_date             2022-12-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H4 Ce Cl2 Cu N2 O10, 6(H2 O)'
_chemical_formula_sum            'C10 H16 Ce Cl2 Cu N2 O16'
_chemical_formula_weight         694.81
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.0146(3)
_cell_length_b                   11.4515(6)
_cell_length_c                   13.7995(6)
_cell_angle_alpha                95.556(4)
_cell_angle_beta                 98.767(4)
_cell_angle_gamma                98.440(4)
_cell_volume                     1075.58(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2481
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.2970
_cell_measurement_theta_min      3.0500
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.407
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             678
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_unetI/netI     0.0625
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5755
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.010
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  37.00   1.00    7.50    --   30.00  54.00 -30.00   36
  2  ω     38.00 115.00   1.00    7.50    --   30.00  54.00  60.00   77
  3  ω    -69.00 -33.00   1.00    7.50    --   30.00  54.00  60.00   36
  4  ω    -71.00 113.00   1.00    7.50    --   30.00  54.00-150.00  184
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3206
_reflns_number_total             3788
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_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)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.511
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.186
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3788
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0437
_refine_ls_restrained_S_all      1.075
_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)+(0.0582P)²+4.4851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1219
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
O12 \\sim O14 \\sim O13 \\sim O11 \\sim O10 \\sim O9: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.03 within 3.8A
O16 \\sim O15 \\sim O12 \\sim O13 \\sim O14 \\sim O11 \\sim O10 \\sim O9:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.03 within 3.8A
3.a Riding coordinates:
 O9(H9A,H9B), O10(H10A,H10B), O11(H11A,H11B), O12(H12A,H12B), O13(H13A,H13B),
 O14(H14A,H14B), O15(H15A,H15B), O16(H16A,H16B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 1.21952(5) 0.51223(4) 0.41567(3) 0.01382(15) Uani 1 1 d . . . . .
Cu1 Cu 0.76081(12) 0.59226(9) 0.00139(6) 0.0225(2) Uani 1 1 d . . . . .
Cl1 Cl 1.1490(4) 1.16496(19) 0.69736(15) 0.0385(5) Uani 1 1 d . . . . .
Cl2 Cl 1.1271(4) 0.8879(2) 0.69060(15) 0.0437(6) Uani 1 1 d . . . . .
O6 O 0.5543(7) 0.4502(5) 0.4126(3) 0.0186(11) Uani 1 1 d . . . . .
O5 O 0.8636(7) 0.4676(4) 0.3982(3) 0.0169(10) Uani 1 1 d . . . . .
O4 O 1.0917(7) 0.5845(5) 0.2631(3) 0.0217(11) Uani 1 1 d . . . . .
O7 O 0.1994(7) 0.3550(5) 0.2780(3) 0.0197(11) Uani 1 1 d . . . . .
O3 O 0.9948(7) 0.6121(5) 0.1085(4) 0.0272(13) Uani 1 1 d . . . . .
O2 O 0.8330(8) 0.6835(5) 0.5174(4) 0.0263(12) Uani 1 1 d . . . . .
O8 O 0.1310(7) 0.3522(5) 0.1148(3) 0.0238(12) Uani 1 1 d . . . . .
O1 O 1.1244(8) 0.7045(5) 0.4689(4) 0.0290(13) Uani 1 1 d . . . . .
C9 C 0.6883(10) 0.4602(6) 0.3594(5) 0.0156(14) Uani 1 1 d . . . . .
N2 N 0.4669(9) 0.4560(6) 0.1004(4) 0.0233(14) Uani 1 1 d . . . . .
C8 C 0.4512(10) 0.4309(7) 0.1909(5) 0.0185(15) Uani 1 1 d . . . . .
N1 N 0.6491(8) 0.5064(6) 0.0985(4) 0.0227(14) Uani 1 1 d . . . . .
C5 C 0.9610(11) 0.5735(7) 0.1891(5) 0.0207(16) Uani 1 1 d . . . . .
C7 C 0.6367(10) 0.4665(7) 0.2525(5) 0.0184(15) Uani 1 1 d . . . . .
C6 C 0.7563(10) 0.5140(7) 0.1877(5) 0.0197(16) Uani 1 1 d . . . . .
C1 C 0.9812(11) 0.7429(6) 0.4940(5) 0.0194(16) Uani 1 1 d . . . . .
C10 C 0.2478(10) 0.3754(6) 0.1973(5) 0.0179(15) Uani 1 1 d . . . . .
C2 C 0.9876(10) 0.8764(7) 0.4975(5) 0.0198(15) Uani 1 1 d . . . . .
C3 C 1.0562(11) 0.9518(7) 0.5850(5) 0.0216(16) Uani 1 1 d . . . . .
C4 C 1.0661(11) 1.0731(7) 0.5878(5) 0.0212(16) Uani 1 1 d . . . . .
O9 O 1.4652(8) 0.6803(6) 0.3853(6) 0.0496(19) Uani 1 1 d . . . . .
H9A H 1.407026 0.735871 0.405098 0.074 Uiso 1 1 d R U . . .
H9B H 1.585206 0.710470 0.391538 0.074 Uiso 1 1 d R U . . .
O10 O 0.6810(11) 0.7725(7) 0.0522(5) 0.0556(19) Uani 1 1 d . U . . .
H10A H 0.798352 0.769287 0.077046 0.083 Uiso 1 1 d R U . . .
H10B H 0.686652 0.816537 0.006186 0.083 Uiso 1 1 d R U . . .
O11 O 0.3930(15) 0.7553(10) 0.1786(9) 0.109(4) Uani 1 1 d . U . . .
H11A H 0.297804 0.709387 0.193372 0.164 Uiso 1 1 d R U . . .
H11B H 0.436244 0.714477 0.134541 0.164 Uiso 1 1 d R U . . .
O12 O -0.533(3) 0.1386(18) 0.1199(15) 0.218(5) Uani 1 1 d . U . . .
H12A H -0.433968 0.182158 0.105915 0.328 Uiso 1 1 d R U . . .
H12B H -0.481918 0.076988 0.107685 0.328 Uiso 1 1 d R U . . .
O13 O -0.165(3) 0.1541(16) 0.0745(12) 0.195(5) Uani 1 1 d . U . . .
H13A H -0.114603 0.220062 0.058525 0.293 Uiso 1 1 d R U . . .
H13B H -0.214113 0.112162 0.019725 0.293 Uiso 1 1 d R U . . .
O14 O 0.000(3) -0.0478(15) 0.0993(11) 0.194(6) Uani 1 1 d . U . . .
H14A H -0.057012 -0.048267 0.149284 0.291 Uiso 1 1 d R U . . .
H14B H 0.077028 0.018573 0.109824 0.291 Uiso 1 1 d R U . . .
O15 O -0.687(3) -0.006(2) 0.2312(16) 0.238(6) Uani 1 1 d . U . . .
H15A H -0.587551 -0.033532 0.216710 0.357 Uiso 1 1 d R U . . .
H15B H -0.667771 0.063998 0.260870 0.357 Uiso 1 1 d R U . . .
O16 O -0.574(3) 0.1524(19) 0.3843(16) 0.237(6) Uani 1 1 d . U . . .
H16A H -0.501769 0.222587 0.387776 0.355 Uiso 1 1 d R U . . .
H16B H -0.664979 0.188727 0.398926 0.355 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Ce1 4.1276(8) 2_766 ?
Ce1 O6 2.602(4) 2_766 ?
Ce1 O6 2.557(5) 1_655 ?
Ce1 O5 2.715(4) 2_766 ?
Ce1 O5 2.443(5) . ?
Ce1 O4 2.429(4) . ?
Ce1 O7 2.460(5) 1_655 ?
Ce1 O2 2.505(5) 2_766 ?
Ce1 O1 2.470(5) . ?
Ce1 C9 3.048(7) 2_766 ?
Ce1 O9 2.500(6) . ?
Cu1 O3 2.004(5) . ?
Cu1 O8 1.995(5) 2_665 ?
Cu1 N2 1.933(6) 2_665 ?
Cu1 N1 1.931(6) . ?
Cu1 O10 2.290(7) . ?
Cl1 C4 1.724(7) . ?
Cl2 C3 1.731(7) . ?
O6 C9 1.277(8) . ?
O5 C9 1.252(8) . ?
O4 C5 1.248(8) . ?
O7 C10 1.246(8) . ?
O3 C5 1.278(8) . ?
O2 C1 1.259(9) . ?
O8 C10 1.277(8) . ?
O1 C1 1.236(9) . ?
C9 C7 1.475(9) . ?
N2 C8 1.324(9) . ?
N2 N1 1.328(8) . ?
C8 C7 1.422(10) . ?
C8 C10 1.494(10) . ?
N1 C6 1.329(9) . ?
C5 C6 1.493(10) . ?
C7 C6 1.410(10) . ?
C1 C2 1.519(10) . ?
C2 C3 1.391(10) . ?
C2 C4 1.386(10) 2_776 ?
C3 C4 1.378(11) . ?
O9 H9A 0.8500 . ?
O9 H9B 0.8500 . ?
O10 H10A 0.8500 . ?
O10 H10B 0.8500 . ?
O11 H11A 0.8500 . ?
O11 H11B 0.8501 . ?
O12 H12A 0.8500 . ?
O12 H12B 0.8500 . ?
O13 H13A 0.8500 . ?
O13 H13B 0.8502 . ?
O14 H14A 0.8500 . ?
O14 H14B 0.8501 . ?
O15 H15A 0.8500 . ?
O15 H15B 0.8500 . ?
O16 H16A 0.8781 . ?
O16 H16B 0.8500 . ?

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
O6 Ce1 Ce1 83.13(10) 2_766 2_766 ?
O6 Ce1 Ce1 139.71(10) 1_655 2_766 ?
O6 Ce1 O6 66.40(17) 1_655 2_766 ?
O6 Ce1 O5 111.35(14) 1_655 2_766 ?
O6 Ce1 O5 48.60(14) 2_766 2_766 ?
O6 Ce1 C9 88.30(16) 1_655 2_766 ?
O6 Ce1 C9 24.54(17) 2_766 2_766 ?
O5 Ce1 Ce1 34.65(9) 2_766 2_766 ?
O5 Ce1 Ce1 39.18(10) . 2_766 ?
O5 Ce1 O6 122.19(15) . 2_766 ?
O5 Ce1 O6 152.14(17) . 1_655 ?
O5 Ce1 O5 73.83(16) . 2_766 ?
O5 Ce1 O7 88.14(16) . 1_655 ?
O5 Ce1 O2 77.50(17) . 2_766 ?
O5 Ce1 O1 75.97(17) . . ?
O5 Ce1 C9 97.67(17) . 2_766 ?
O5 Ce1 C9 24.20(16) 2_766 2_766 ?
O5 Ce1 O9 136.37(18) . . ?
O4 Ce1 Ce1 107.09(12) . 2_766 ?
O4 Ce1 O6 112.51(16) . 1_655 ?
O4 Ce1 O6 149.73(17) . 2_766 ?
O4 Ce1 O5 73.96(16) . . ?
O4 Ce1 O5 134.07(16) . 2_766 ?
O4 Ce1 O7 71.51(17) . 1_655 ?
O4 Ce1 O2 134.21(18) . 2_766 ?
O4 Ce1 O1 75.30(18) . . ?
O4 Ce1 C9 150.48(18) . 2_766 ?
O4 Ce1 O9 71.82(19) . . ?
O7 Ce1 Ce1 118.15(11) 1_655 2_766 ?
O7 Ce1 O6 69.76(16) 1_655 1_655 ?
O7 Ce1 O6 129.46(16) 1_655 2_766 ?
O7 Ce1 O5 138.28(15) 1_655 2_766 ?
O7 Ce1 O2 72.52(17) 1_655 2_766 ?
O7 Ce1 O1 146.05(18) 1_655 . ?
O7 Ce1 C9 137.45(17) 1_655 2_766 ?
O7 Ce1 O9 105.5(2) 1_655 . ?
O2 Ce1 Ce1 67.37(12) 2_766 2_766 ?
O2 Ce1 O6 79.71(16) 2_766 1_655 ?
O2 Ce1 O6 76.06(17) 2_766 2_766 ?
O2 Ce1 O5 67.03(16) 2_766 2_766 ?
O2 Ce1 C9 67.83(18) 2_766 2_766 ?
O1 Ce1 Ce1 65.55(12) . 2_766 ?
O1 Ce1 O6 83.88(17) . 2_766 ?
O1 Ce1 O6 131.68(18) . 1_655 ?
O1 Ce1 O5 65.73(16) . 2_766 ?
O1 Ce1 O2 130.45(18) . 2_766 ?
O1 Ce1 C9 75.21(18) . 2_766 ?
O1 Ce1 O9 69.8(2) . . ?
C9 Ce1 Ce1 58.60(13) 2_766 2_766 ?
O9 Ce1 Ce1 133.72(17) . 2_766 ?
O9 Ce1 O6 80.55(19) . 2_766 ?
O9 Ce1 O6 68.40(18) . 1_655 ?
O9 Ce1 O5 113.5(2) . 2_766 ?
O9 Ce1 O2 146.01(18) . 2_766 ?
O9 Ce1 C9 98.9(2) . 2_766 ?
O3 Cu1 O10 93.2(3) . . ?
O8 Cu1 O3 104.2(2) 2_665 . ?
O8 Cu1 O10 94.4(2) 2_665 . ?
N2 Cu1 O3 170.1(3) 2_665 . ?
N2 Cu1 O8 80.0(2) 2_665 2_665 ?
N2 Cu1 O10 95.5(3) 2_665 . ?
N1 Cu1 O3 79.8(2) . . ?
N1 Cu1 O8 168.1(3) . 2_665 ?
N1 Cu1 N2 94.4(2) . 2_665 ?
N1 Cu1 O10 96.5(3) . . ?
Ce1 O6 Ce1 113.60(17) 1_455 2_766 ?
C9 O6 Ce1 138.2(4) . 1_455 ?
C9 O6 Ce1 97.7(4) . 2_766 ?
Ce1 O5 Ce1 106.17(16) . 2_766 ?
C9 O5 Ce1 158.3(4) . . ?
C9 O5 Ce1 93.0(4) . 2_766 ?
C5 O4 Ce1 148.6(5) . . ?
C10 O7 Ce1 122.9(5) . 1_455 ?
C5 O3 Cu1 115.0(5) . . ?
C1 O2 Ce1 132.3(5) . 2_766 ?
C10 O8 Cu1 115.6(4) . 2_665 ?
C1 O1 Ce1 139.0(5) . . ?
O6 C9 Ce1 57.8(3) . 2_766 ?
O6 C9 C7 119.9(6) . . ?
O5 C9 Ce1 62.8(3) . 2_766 ?
O5 C9 O6 120.0(6) . . ?
O5 C9 C7 120.0(6) . . ?
C7 C9 Ce1 170.8(5) . 2_766 ?
C8 N2 Cu1 117.6(5) . 2_665 ?
C8 N2 N1 109.6(6) . . ?
N1 N2 Cu1 132.7(4) . 2_665 ?
N2 C8 C7 108.7(6) . . ?
N2 C8 C10 111.7(6) . . ?
C7 C8 C10 139.6(6) . . ?
N2 N1 Cu1 131.4(4) . . ?
N2 N1 C6 109.7(6) . . ?
C6 N1 Cu1 117.7(5) . . ?
O4 C5 O3 121.7(7) . . ?
O4 C5 C6 122.8(6) . . ?
O3 C5 C6 115.4(6) . . ?
C8 C7 C9 128.2(6) . . ?
C6 C7 C9 128.6(6) . . ?
C6 C7 C8 103.2(6) . . ?
N1 C6 C5 111.2(6) . . ?
N1 C6 C7 108.8(6) . . ?
C7 C6 C5 139.9(6) . . ?
O2 C1 C2 117.2(6) . . ?
O1 C1 O2 127.0(7) . . ?
O1 C1 C2 115.8(7) . . ?
O7 C10 O8 123.8(6) . . ?
O7 C10 C8 121.3(6) . . ?
O8 C10 C8 114.8(6) . . ?
C3 C2 C1 121.1(6) . . ?
C4 C2 C1 120.6(7) 2_776 . ?
C4 C2 C3 118.2(7) 2_776 . ?
C2 C3 Cl2 117.8(6) . . ?
C4 C3 Cl2 121.1(6) . . ?
C4 C3 C2 121.1(7) . . ?
C2 C4 Cl1 118.9(6) 2_776 . ?
C3 C4 Cl1 120.5(6) . . ?
C3 C4 C2 120.6(7) . 2_776 ?
Ce1 O9 H9A 96.5 . . ?
Ce1 O9 H9B 147.1 . . ?
H9A O9 H9B 106.2 . . ?
Cu1 O10 H10A 69.8 . . ?
Cu1 O10 H10B 109.1 . . ?
H10A O10 H10B 106.5 . . ?
H11A O11 H11B 105.8 . . ?
H12A O12 H12B 90.3 . . ?
H13A O13 H13B 104.4 . . ?
H14A O14 H14B 103.9 . . ?
H15A O15 H15B 116.6 . . ?
H16A O16 H16B 87.2 . . ?

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 O6 C9 Ce1 139.2(7) 1_455 . . 2_766 ?
Ce1 O6 C9 O5 147.9(5) 1_455 . . . ?
Ce1 O6 C9 O5 8.7(7) 2_766 . . . ?
Ce1 O6 C9 C7 -30.4(10) 1_455 . . . ?
Ce1 O6 C9 C7 -169.6(6) 2_766 . . . ?
Ce1 O5 C9 Ce1 -152.4(13) . . . 2_766 ?
Ce1 O5 C9 O6 -160.7(9) . . . . ?
Ce1 O5 C9 O6 -8.3(7) 2_766 . . . ?
Ce1 O5 C9 C7 170.0(6) 2_766 . . . ?
Ce1 O5 C9 C7 17.6(16) . . . . ?
Ce1 O4 C5 O3 -153.7(7) . . . . ?
Ce1 O4 C5 C6 25.7(14) . . . . ?
Ce1 O7 C10 O8 -119.4(7) 1_455 . . . ?
Ce1 O7 C10 C8 60.2(8) 1_455 . . . ?
Ce1 O2 C1 O1 24.9(11) 2_766 . . . ?
Ce1 O2 C1 C2 -154.7(5) 2_766 . . . ?
Ce1 O1 C1 O2 14.0(12) . . . . ?
Ce1 O1 C1 C2 -166.5(5) . . . . ?
Cu1 O3 C5 O4 -177.1(6) . . . . ?
Cu1 O3 C5 C6 3.5(9) . . . . ?
Cu1 O8 C10 O7 174.5(6) 2_665 . . . ?
Cu1 O8 C10 C8 -5.1(8) 2_665 . . . ?
Cu1 N2 C8 C7 176.2(5) 2_665 . . . ?
Cu1 N2 C8 C10 -4.1(9) 2_665 . . . ?
Cu1 N2 N1 Cu1 18.1(12) 2_665 . . . ?
Cu1 N2 N1 C6 -175.4(6) 2_665 . . . ?
Cu1 N1 C6 C5 -9.6(9) . . . . ?
Cu1 N1 C6 C7 168.1(5) . . . . ?
Cl2 C3 C4 Cl1 -0.3(10) . . . . ?
Cl2 C3 C4 C2 178.8(6) . . . 2_776 ?
O6 C9 C7 C8 -19.0(12) . . . . ?
O6 C9 C7 C6 157.8(7) . . . . ?
O5 C9 C7 C8 162.7(7) . . . . ?
O5 C9 C7 C6 -20.6(12) . . . . ?
O4 C5 C6 N1 -175.7(7) . . . . ?
O4 C5 C6 C7 7.6(15) . . . . ?
O3 C5 C6 N1 3.7(10) . . . . ?
O3 C5 C6 C7 -173.0(9) . . . . ?
O2 C1 C2 C3 85.0(9) . . . . ?
O2 C1 C2 C4 -98.1(8) . . . 2_776 ?
O1 C1 C2 C3 -94.5(9) . . . . ?
O1 C1 C2 C4 82.4(9) . . . 2_776 ?
C9 C7 C6 N1 -177.2(7) . . . . ?
C9 C7 C6 C5 -0.4(15) . . . . ?
N2 C8 C7 C9 177.6(7) . . . . ?
N2 C8 C7 C6 0.2(8) . . . . ?
N2 C8 C10 O7 -173.6(7) . . . . ?
N2 C8 C10 O8 6.0(10) . . . . ?
N2 N1 C6 C5 -178.3(6) . . . . ?
N2 N1 C6 C7 -0.5(9) . . . . ?
C8 N2 N1 Cu1 -165.9(6) . . . . ?
C8 N2 N1 C6 0.6(9) . . . . ?
C8 C7 C6 N1 0.2(8) . . . . ?
C8 C7 C6 C5 177.0(9) . . . . ?
N1 N2 C8 C7 -0.5(9) . . . . ?
N1 N2 C8 C10 179.2(6) . . . . ?
C7 C8 C10 O7 6.0(14) . . . . ?
C7 C8 C10 O8 -174.4(9) . . . . ?
C1 C2 C3 Cl2 -1.8(10) . . . . ?
C1 C2 C3 C4 178.5(7) . . . . ?
C10 C8 C7 C9 -2.0(15) . . . . ?
C10 C8 C7 C6 -179.4(9) . . . . ?
C2 C3 C4 Cl1 179.3(6) . . . . ?
C2 C3 C4 C2 -1.6(13) . . . 2_776 ?
C4 C2 C3 Cl2 -178.8(6) 2_776 . . . ?
C4 C2 C3 C4 1.6(12) 2_776 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
