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#$Date: 2022-11-18 12:29:01 +0200 (Fri, 18 Nov 2022) $
#$Revision: 279399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/61/8106165.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_8106165
loop_
_publ_author_name
'Wu, Hao'
'Li, Hai-Yan'
'Wu, Wei-Na'
_publ_section_title
;
 Crystal structure of
 diaqua-bis[N-phenyl-2-(quinolin-8-yloxy)acetamide-κ3-N,O,O′]-nitrato(κ2
 O,O′)-cerium(III) dinitrate - acetone (1/2), C40H44N7O17Ce
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              403
_journal_page_last               404
_journal_paper_doi               10.1515/ncrs-2017-0302
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C40 H44 Ce N7 O17'
_chemical_formula_weight         1034.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 123.576(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.5754(11)
_cell_length_b                   9.2819(3)
_cell_length_c                   20.2035(8)
_cell_measurement_reflns_used    4181
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.40
_cell_measurement_theta_min      2.90
_cell_volume                     4464.6(3)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13235
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.355
_exptl_absorpt_coefficient_mu    1.100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_description       block
_exptl_crystal_F_000             2108
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.561
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3854
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0321
_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)+(0.0453P)²+0.3191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0844
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3327
_reflns_number_total             3854
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2017-0302_suppl.cif
_cod_data_source_block           z
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8106165
_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_min   0.852
_shelx_estimated_absorpt_t_max   0.879
loop_
_space_group_symop_operation_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_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 0.000000 0.91509(3) 0.250000 0.03481(11) Uani 1 2 d S T P . .
O1 O 0.03899(9) 0.7366(2) 0.18083(12) 0.0431(5) Uani 1 1 d . . . . .
O2 O 0.06453(9) 0.7128(2) 0.32451(12) 0.0464(6) Uani 1 1 d . . . . .
O3 O 0.09483(9) 0.9975(3) 0.28972(17) 0.0585(7) Uani 1 1 d D . . . .
H3B H 0.1064(16) 1.077(3) 0.284(3) 0.088 Uiso 1 1 d D U . . .
H3A H 0.1222(13) 0.939(3) 0.314(3) 0.088 Uiso 1 1 d D U . . .
O4 O -0.00738(10) 1.1725(3) 0.19252(14) 0.0549(6) Uani 1 1 d . . . . .
O5 O 0.000000 1.3749(4) 0.250000 0.0708(12) Uani 1 2 d S T P . .
O6 O 0.17983(12) 0.1775(4) 0.2419(2) 0.0921(11) Uani 1 1 d . . . . .
O7 O 0.1753(2) 0.4061(4) 0.2513(3) 0.1220(17) Uani 1 1 d . . . . .
O8 O 0.12756(12) 0.2669(3) 0.27639(19) 0.0750(8) Uani 1 1 d . . . . .
O9 O 0.18574(13) 0.8174(4) 0.3696(2) 0.1041(12) Uani 1 1 d . . . . .
N1 N -0.04261(11) 0.9270(3) 0.09315(15) 0.0418(7) Uani 1 1 d . . . . .
N2 N 0.11707(11) 0.5108(3) 0.35136(15) 0.0458(7) Uani 1 1 d . . . . .
H2A H 0.126890 0.448697 0.329634 0.055 Uiso 1 1 calc R U . . .
N3 N 0.000000 1.2454(4) 0.250000 0.0404(9) Uani 1 2 d S T P . .
N4 N 0.16189(13) 0.2821(4) 0.25621(19) 0.0605(9) Uani 1 1 d . . . . .
C1 C -0.08437(14) 1.0169(4) 0.0488(2) 0.0532(9) Uani 1 1 d . . . . .
H1 H -0.097723 1.072727 0.073235 0.064 Uiso 1 1 calc R U . . .
C2 C -0.10949(16) 1.0325(5) -0.0328(2) 0.0624(11) Uani 1 1 d . . . . .
H2 H -0.139448 1.095628 -0.061776 0.075 Uiso 1 1 calc R U . . .
C3 C -0.09019(17) 0.9556(5) -0.0695(2) 0.0622(11) Uani 1 1 d . . . . .
H3 H -0.106158 0.967402 -0.123681 0.075 Uiso 1 1 calc R U . . .
C4 C -0.04600(15) 0.8578(4) -0.02592(19) 0.0499(9) Uani 1 1 d . . . . .
C5 C -0.02417(16) 0.7734(5) -0.0602(2) 0.0598(11) Uani 1 1 d . . . . .
H5 H -0.038894 0.781034 -0.114244 0.072 Uiso 1 1 calc R U . . .
C6 C 0.01834(18) 0.6809(5) -0.0146(2) 0.0654(11) Uani 1 1 d . . . . .
H6 H 0.033173 0.627016 -0.037666 0.078 Uiso 1 1 calc R U . . .
C7 C 0.04075(15) 0.6639(4) 0.0668(2) 0.0543(9) Uani 1 1 d . . . . .
H7 H 0.069576 0.598268 0.096906 0.065 Uiso 1 1 calc R U . . .
C8 C 0.01996(13) 0.7442(4) 0.10142(18) 0.0415(8) Uani 1 1 d . . . . .
C9 C -0.02350(13) 0.8462(4) 0.05668(18) 0.0407(8) Uani 1 1 d . . . . .
C10 C 0.06914(15) 0.6085(4) 0.2204(2) 0.0478(9) Uani 1 1 d . . . . .
H10A H 0.103238 0.602396 0.220951 0.057 Uiso 1 1 calc R U . . .
H10B H 0.046314 0.524259 0.193405 0.057 Uiso 1 1 calc R U . . .
C11 C 0.08318(13) 0.6159(4) 0.30391(19) 0.0398(8) Uani 1 1 d . . . . .
C12 C 0.13899(13) 0.4882(4) 0.4329(2) 0.0470(9) Uani 1 1 d . . . . .
C13 C 0.17661(18) 0.3761(5) 0.4694(3) 0.0762(13) Uani 1 1 d . . . . .
H13 H 0.185624 0.318341 0.440402 0.091 Uiso 1 1 calc R U . . .
C14 C 0.2008(2) 0.3503(6) 0.5495(3) 0.0914(16) Uani 1 1 d . . . . .
H14 H 0.226486 0.275428 0.574234 0.110 Uiso 1 1 calc R U . . .
C15 C 0.18758(19) 0.4329(5) 0.5923(3) 0.0755(14) Uani 1 1 d . . . . .
H15 H 0.204069 0.414723 0.646073 0.091 Uiso 1 1 calc R U . . .
C16 C 0.15016(18) 0.5421(5) 0.5562(2) 0.0715(12) Uani 1 1 d . . . . .
H16 H 0.140844 0.598386 0.585412 0.086 Uiso 1 1 calc R U . . .
C17 C 0.12582(17) 0.5702(4) 0.4766(2) 0.0618(11) Uani 1 1 d . . . . .
H17 H 0.100302 0.645544 0.452427 0.074 Uiso 1 1 calc R U . . .
C18 C 0.2057(3) 0.7992(8) 0.2732(4) 0.131(2) Uani 1 1 d D . . . .
H18A H 0.231675 0.744917 0.267073 0.196 Uiso 1 1 calc R U . . .
H18B H 0.167977 0.776328 0.230607 0.196 Uiso 1 1 calc R U . . .
H18C H 0.212322 0.900320 0.272021 0.196 Uiso 1 1 calc R U . . .
C19 C 0.21363(17) 0.7624(5) 0.3501(4) 0.0865(16) Uani 1 1 d D . . . .
C20 C 0.2574(2) 0.6541(7) 0.4014(5) 0.173(4) Uani 1 1 d D . . . .
H20A H 0.275542 0.621748 0.375873 0.260 Uiso 1 1 calc R U . . .
H20B H 0.284669 0.697135 0.451610 0.260 Uiso 1 1 calc R U . . .
H20C H 0.240163 0.573599 0.409790 0.260 Uiso 1 1 calc R U . . .
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
O2 Ce1 O2 81.27(10) 2 .
O2 Ce1 O3 73.99(8) 2 2
O2 Ce1 O3 138.00(8) . 2
O2 Ce1 O3 138.00(8) 2 .
O2 Ce1 O3 73.99(8) . .
O3 Ce1 O3 144.14(12) 2 .
O2 Ce1 O4 144.48(8) 2 2
O2 Ce1 O4 125.00(7) . 2
O3 Ce1 O4 70.58(8) 2 2
O3 Ce1 O4 76.67(8) . 2
O2 Ce1 O4 125.00(7) 2 .
O2 Ce1 O4 144.48(8) . .
O3 Ce1 O4 76.67(8) 2 .
O3 Ce1 O4 70.58(8) . .
O4 Ce1 O4 47.82(11) 2 .
O2 Ce1 N1 67.40(7) 2 .
O2 Ce1 N1 116.51(8) . .
O3 Ce1 N1 84.53(9) 2 .
O3 Ce1 N1 94.02(9) . .
O4 Ce1 N1 110.97(8) 2 .
O4 Ce1 N1 64.37(8) . .
O2 Ce1 N1 116.51(8) 2 2
O2 Ce1 N1 67.39(7) . 2
O3 Ce1 N1 94.02(9) 2 2
O3 Ce1 N1 84.53(9) . 2
O4 Ce1 N1 64.37(8) 2 2
O4 Ce1 N1 110.97(8) . 2
N1 Ce1 N1 175.32(11) . 2
O2 Ce1 O1 58.69(7) 2 2
O2 Ce1 O1 67.11(7) . 2
O3 Ce1 O1 71.07(8) 2 2
O3 Ce1 O1 133.88(8) . 2
O4 Ce1 O1 106.20(7) 2 2
O4 Ce1 O1 144.64(7) . 2
N1 Ce1 O1 124.86(7) . 2
N1 Ce1 O1 58.49(7) 2 2
O2 Ce1 O1 67.11(7) 2 .
O2 Ce1 O1 58.69(7) . .
O3 Ce1 O1 133.88(8) 2 .
O3 Ce1 O1 71.07(8) . .
O4 Ce1 O1 144.64(7) 2 .
O4 Ce1 O1 106.20(7) . .
N1 Ce1 O1 58.49(7) . .
N1 Ce1 O1 124.86(7) 2 .
O1 Ce1 O1 106.45(9) 2 .
C8 O1 C10 114.9(3) . .
C8 O1 Ce1 123.07(19) . .
C10 O1 Ce1 120.21(18) . .
C11 O2 Ce1 131.8(2) . .
Ce1 O3 H3B 132(3) . .
Ce1 O3 H3A 119(3) . .
H3B O3 H3A 110(3) . .
N3 O4 Ce1 98.7(2) . .
C1 N1 C9 117.7(3) . .
C1 N1 Ce1 118.3(2) . .
C9 N1 Ce1 124.0(2) . .
C11 N2 C12 128.4(3) . .
C11 N2 H2A 115.8 . .
C12 N2 H2A 115.8 . .
O5 N3 O4 122.57(19) . 2
O5 N3 O4 122.57(19) . .
O4 N3 O4 114.9(4) 2 .
O6 N4 O7 122.7(4) . .
O6 N4 O8 119.8(4) . .
O7 N4 O8 117.5(4) . .
N1 C1 C2 123.3(4) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C3 C2 C1 119.8(4) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C2 C3 C4 119.8(3) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 123.0(3) . .
C5 C4 C9 120.1(3) . .
C3 C4 C9 116.9(4) . .
C6 C5 C4 119.8(3) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 121.7(4) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C8 C7 C6 119.6(4) . .
C8 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
C7 C8 O1 124.3(3) . .
C7 C8 C9 121.0(3) . .
O1 C8 C9 114.7(3) . .
N1 C9 C8 119.7(3) . .
N1 C9 C4 122.5(3) . .
C8 C9 C4 117.8(3) . .
O1 C10 C11 107.1(3) . .
O1 C10 H10A 110.3 . .
C11 C10 H10A 110.3 . .
O1 C10 H10B 110.3 . .
C11 C10 H10B 110.3 . .
H10A C10 H10B 108.5 . .
O2 C11 N2 124.7(3) . .
O2 C11 C10 121.1(3) . .
N2 C11 C10 114.2(3) . .
C17 C12 C13 119.1(4) . .
C17 C12 N2 124.4(3) . .
C13 C12 N2 116.4(4) . .
C12 C13 C14 119.6(5) . .
C12 C13 H13 120.2 . .
C14 C13 H13 120.2 . .
C15 C14 C13 120.8(4) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C16 C15 C14 119.7(4) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C15 C16 C17 120.5(5) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C12 C17 C16 120.4(4) . .
C12 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C19 C18 H18A 109.5 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C19 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O9 C19 C18 120.6(5) . .
O9 C19 C20 121.4(6) . .
C18 C19 C20 117.9(6) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O2 2.474(2) 2
Ce1 O2 2.474(2) .
Ce1 O3 2.483(2) 2
Ce1 O3 2.483(2) .
Ce1 O4 2.614(2) 2
Ce1 O4 2.614(2) .
Ce1 N1 2.696(3) .
Ce1 N1 2.696(3) 2
Ce1 O1 2.768(2) 2
Ce1 O1 2.768(2) .
O1 C8 1.382(4) .
O1 C10 1.426(4) .
O2 C11 1.230(4) .
O3 H3B 0.842(18) .
O3 H3A 0.851(18) .
O4 N3 1.257(3) .
O5 N3 1.202(5) .
O6 N4 1.206(4) .
O7 N4 1.233(4) .
O8 N4 1.261(4) .
O9 C19 1.182(6) .
N1 C1 1.319(4) .
N1 C9 1.360(4) .
N2 C11 1.335(4) .
N2 C12 1.418(4) .
N2 H2A 0.8600 .
C1 C2 1.396(5) .
C1 H1 0.9300 .
C2 C3 1.348(6) .
C2 H2 0.9300 .
C3 C4 1.401(6) .
C3 H3 0.9300 .
C4 C5 1.401(5) .
C4 C9 1.422(4) .
C5 C6 1.351(6) .
C5 H5 0.9300 .
C6 C7 1.406(5) .
C6 H6 0.9300 .
C7 C8 1.362(5) .
C7 H7 0.9300 .
C8 C9 1.419(5) .
C10 C11 1.504(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C12 C17 1.366(5) .
C12 C13 1.380(5) .
C13 C14 1.383(7) .
C13 H13 0.9300 .
C14 C15 1.357(7) .
C14 H14 0.9300 .
C15 C16 1.356(6) .
C15 H15 0.9300 .
C16 C17 1.380(6) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.482(7) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.488(6) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O3 H3B O8 0.842(18) 1.897(19) 2.735(4) 174(5) 1_565 yes
O3 H3A O9 0.851(18) 1.890(19) 2.740(4) 177(4) . yes
N2 H2A O8 0.86 2.01 2.830(4) 160.0 . yes
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
Ce1 O4 N3 O5 180.000(1) . . . .
Ce1 O4 N3 O4 0.001(1) . . . 2
C9 N1 C1 C2 0.1(5) . . . .
Ce1 N1 C1 C2 179.7(3) . . . .
N1 C1 C2 C3 -1.6(6) . . . .
C1 C2 C3 C4 1.7(6) . . . .
C2 C3 C4 C5 179.4(4) . . . .
C2 C3 C4 C9 -0.3(5) . . . .
C3 C4 C5 C6 -179.7(4) . . . .
C9 C4 C5 C6 0.0(5) . . . .
C4 C5 C6 C7 1.6(6) . . . .
C5 C6 C7 C8 -1.2(6) . . . .
C6 C7 C8 O1 -179.7(3) . . . .
C6 C7 C8 C9 -0.8(5) . . . .
C10 O1 C8 C7 -19.4(4) . . . .
Ce1 O1 C8 C7 175.8(3) . . . .
C10 O1 C8 C9 161.6(3) . . . .
Ce1 O1 C8 C9 -3.1(3) . . . .
C1 N1 C9 C8 -177.7(3) . . . .
Ce1 N1 C9 C8 2.6(4) . . . .
C1 N1 C9 C4 1.3(5) . . . .
Ce1 N1 C9 C4 -178.3(2) . . . .
C7 C8 C9 N1 -178.6(3) . . . .
O1 C8 C9 N1 0.4(4) . . . .
C7 C8 C9 C4 2.3(5) . . . .
O1 C8 C9 C4 -178.7(3) . . . .
C5 C4 C9 N1 179.1(3) . . . .
C3 C4 C9 N1 -1.2(5) . . . .
C5 C4 C9 C8 -1.9(5) . . . .
C3 C4 C9 C8 177.9(3) . . . .
C8 O1 C10 C11 -176.7(3) . . . .
Ce1 O1 C10 C11 -11.4(3) . . . .
Ce1 O2 C11 N2 -178.2(2) . . . .
Ce1 O2 C11 C10 2.4(5) . . . .
C12 N2 C11 O2 -0.8(5) . . . .
C12 N2 C11 C10 178.7(3) . . . .
O1 C10 C11 O2 6.7(4) . . . .
O1 C10 C11 N2 -172.8(3) . . . .
C11 N2 C12 C17 3.7(6) . . . .
C11 N2 C12 C13 -175.4(4) . . . .
C17 C12 C13 C14 -0.9(7) . . . .
N2 C12 C13 C14 178.3(4) . . . .
C12 C13 C14 C15 0.7(8) . . . .
C13 C14 C15 C16 0.0(8) . . . .
C14 C15 C16 C17 -0.4(7) . . . .
C13 C12 C17 C16 0.5(6) . . . .
N2 C12 C17 C16 -178.6(4) . . . .
C15 C16 C17 C12 0.2(7) . . . .
