#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:48:59 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229963 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/78/7047850.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_7047850
loop_
_publ_author_name
'Fatila, Elisabeth M.'
'Maahs, Adam C.'
'Hetherington, Erin E.'
'Cooper, Brandon J.'
'Cooper, Riley E.'
'Daanen, Nick N.'
'Jennings, Michael'
'Skrabalak, Sara E.'
'Preuss, Kathryn E.'
_publ_section_title
;
 Stoichiometric control: 8- and 10-coordinate Ln(hfac)₃(bpy)
 and Ln(hfac)₃(bpy)₂ complexes of the early
 lanthanides La-Sm.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16232
_journal_page_last               16241
_journal_paper_doi               10.1039/c8dt03286f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C35 H19 Ce F18 N4 O6'
_chemical_formula_sum            'C35 H19 Ce F18 N4 O6'
_chemical_formula_weight         1073.66
_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'
_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-2018/3
_audit_update_record
;
2018-10-07 deposited with the CCDC.
2018-10-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.98(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.819(4)
_cell_length_b                   11.828(2)
_cell_length_c                   18.116(4)
_cell_measurement_reflns_used    23613
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.55
_cell_volume                     4089.9(18)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius B.V., 1997-2002)'
_computing_data_reduction        Denzo-SMN
_computing_molecular_graphics    'Mercury 3.10.2'
_computing_publication_material  'Microsoft Office 2013'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXTL V6.1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offsets'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0808
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20806
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.570
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.244
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2100
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methylene chloride/hexanes'
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.490
_refine_diff_density_min         -1.243
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.00018(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         3617
_refine_ls_number_restraints     190
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+32.7423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2959
_reflns_number_total             3617
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03286f2.cif
_cod_data_source_block           k11163
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7047848--7047856.cif.
;
_cod_database_code               7047850
_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.
;
_shelx_estimated_absorpt_t_min   0.605
_shelx_estimated_absorpt_t_max   0.707
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
Ce Ce 0.500000 0.80698(3) 0.750000 0.03061(15) Uani 1 2 d S TU P A .
N1 N 0.5220(2) 0.8534(3) 0.9094(3) 0.0394(10) Uani 1 1 d . U . . .
C2 C 0.5882(3) 0.8643(4) 0.9726(3) 0.0430(13) Uani 1 1 d . U . . .
H2A H 0.624723 0.868513 0.958461 0.052 Uiso 1 1 calc R U . . .
C3 C 0.6062(3) 0.8697(4) 1.0572(4) 0.0480(14) Uani 1 1 d . U . . .
H3A H 0.653603 0.878218 1.099831 0.058 Uiso 1 1 calc R U . . .
C4 C 0.5527(4) 0.8622(5) 1.0775(4) 0.0572(15) Uani 1 1 d . U . . .
H4A H 0.562931 0.864178 1.134723 0.069 Uiso 1 1 calc R U . . .
C5 C 0.4850(3) 0.8518(5) 1.0140(4) 0.0528(14) Uani 1 1 d . U . . .
H5A H 0.447866 0.847212 1.027088 0.063 Uiso 1 1 calc R U . . .
C6 C 0.4705(3) 0.8481(4) 0.9305(3) 0.0388(12) Uani 1 1 d . U . . .
C7 C 0.3975(3) 0.8442(4) 0.8588(4) 0.0405(12) Uani 1 1 d . U . . .
C8 C 0.3389(3) 0.8442(6) 0.8712(4) 0.0654(18) Uani 1 1 d . U . . .
H8A H 0.344858 0.841486 0.926701 0.079 Uiso 1 1 calc R U . . .
C9 C 0.2728(3) 0.8482(6) 0.8026(5) 0.071(2) Uani 1 1 d . U . . .
H9A H 0.232773 0.848478 0.810363 0.085 Uiso 1 1 calc R U . . .
C10 C 0.2652(3) 0.8517(5) 0.7236(5) 0.0606(17) Uani 1 1 d . U . . .
H10A H 0.220117 0.855200 0.675169 0.073 Uiso 1 1 calc R U . . .
C11 C 0.3252(3) 0.8501(5) 0.7162(4) 0.0535(15) Uani 1 1 d . U . . .
H11A H 0.319979 0.851921 0.660981 0.064 Uiso 1 1 calc R U . . .
N12 N 0.3903(2) 0.8462(4) 0.7815(3) 0.0413(10) Uani 1 1 d . U . . .
O21 O 0.53178(17) 0.6381(3) 0.6910(2) 0.0383(8) Uani 1 1 d . U . . .
C22A C 0.5024(3) 0.5560(5) 0.6456(4) 0.0399(15) Uani 0.77 1 d . U P A 1
C23A C 0.4311(4) 0.5340(6) 0.6040(5) 0.057(2) Uani 0.77 1 d . U P A 1
H23A H 0.414729 0.465311 0.573374 0.069 Uiso 0.77 1 calc R U P A 1
C24A C 0.3837(5) 0.6076(9) 0.6054(6) 0.046(2) Uani 0.77 1 d . U P A 1
C22B C 0.5641(12) 0.559(2) 0.7150(16) 0.046(5) Uani 0.23 1 d . U P A 3
C23B C 0.6111(11) 0.5337(19) 0.7996(16) 0.045(5) Uani 0.23 1 d . U P A 3
H23B H 0.631387 0.460447 0.813610 0.054 Uiso 0.23 1 calc R U P A 3
C24B C 0.6296(16) 0.616(3) 0.866(2) 0.041(7) Uani 0.23 1 d . U P A 3
O25 O 0.39400(16) 0.7049(3) 0.6415(2) 0.0386(8) Uani 1 1 d . U . . .
C26 C 0.5520(4) 0.4703(5) 0.6396(4) 0.0674(17) Uani 1 1 d D U . . .
C27 C 0.3084(3) 0.5732(5) 0.5558(5) 0.0740(19) Uani 1 1 d D U . . .
F21A F 0.5237(6) 0.4038(8) 0.5704(8) 0.106(4) Uani 0.48 1 d D U P A 1
F22A F 0.5810(11) 0.3818(10) 0.6862(8) 0.131(6) Uani 0.48 1 d D U P A 1
F23A F 0.5855(13) 0.5226(17) 0.6068(15) 0.111(6) Uani 0.48 1 d D U P A 1
F21B F 0.5938(8) 0.4301(11) 0.7129(7) 0.123(5) Uani 0.52 1 d D U P A 2
F23B F 0.5026(9) 0.408(2) 0.5969(14) 0.274(13) Uani 0.52 1 d D U P A 2
F22B F 0.6007(12) 0.510(2) 0.6267(18) 0.141(8) Uani 0.52 1 d D U P A 2
F24A F 0.3025(14) 0.623(2) 0.4905(10) 0.241(13) Uani 0.44 1 d D U P A 1
F25A F 0.2921(6) 0.4712(10) 0.5650(13) 0.110(7) Uani 0.44 1 d D U P A 1
F26A F 0.2630(10) 0.6374(16) 0.563(2) 0.208(12) Uani 0.44 1 d D U P A 1
F24B F 0.2771(8) 0.563(2) 0.5984(11) 0.202(9) Uani 0.56 1 d D U P A 2
F25B F 0.2699(5) 0.629(2) 0.4941(11) 0.164(7) Uani 0.56 1 d D U P A 2
F26B F 0.3029(7) 0.4820(12) 0.5120(13) 0.190(8) Uani 0.56 1 d D U P A 2
O31 O 0.43052(17) 0.9857(3) 0.6864(2) 0.0387(8) Uani 1 1 d . U . . .
C32 C 0.4387(3) 1.0899(4) 0.6963(3) 0.0362(11) Uani 1 1 d . U . . .
C33 C 0.500000 1.1478(6) 0.750000 0.0458(19) Uani 1 2 d S TU P . .
H33A H 0.500001 1.228128 0.750000 0.069 Uiso 1 2 calc R U P . .
C34 C 0.3724(3) 1.1586(5) 0.6435(4) 0.0510(14) Uani 1 1 d . U . . .
F31 F 0.3291(2) 1.1499(5) 0.6733(3) 0.124(2) Uani 1 1 d . U . . .
F32 F 0.3838(2) 1.2662(3) 0.6381(3) 0.121(2) Uani 1 1 d . U . . .
F33 F 0.33837(18) 1.1217(3) 0.5649(2) 0.0737(11) Uani 1 1 d . 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'
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'
F F 0.0171 0.0103 '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
O25 Ce O25 122.32(16) . 2_656
O25 Ce O21 67.89(11) . .
O25 Ce O21 67.09(11) 2_656 .
O25 Ce O21 67.09(11) . 2_656
O25 Ce O21 67.89(11) 2_656 2_656
O21 Ce O21 74.94(16) . 2_656
O25 Ce O31 151.93(11) . 2_656
O25 Ce O31 85.62(11) 2_656 2_656
O21 Ce O31 128.96(11) . 2_656
O21 Ce O31 134.22(11) 2_656 2_656
O25 Ce O31 85.62(11) . .
O25 Ce O31 151.93(11) 2_656 .
O21 Ce O31 134.22(11) . .
O21 Ce O31 128.96(11) 2_656 .
O31 Ce O31 66.66(15) 2_656 .
O25 Ce N1 69.28(12) . 2_656
O25 Ce N1 123.16(11) 2_656 2_656
O21 Ce N1 69.84(12) . 2_656
O21 Ce N1 131.49(12) 2_656 2_656
O31 Ce N1 94.16(12) 2_656 2_656
O31 Ce N1 65.97(11) . 2_656
O25 Ce N1 123.16(12) . .
O25 Ce N1 69.28(12) 2_656 .
O21 Ce N1 131.48(12) . .
O21 Ce N1 69.84(12) 2_656 .
O31 Ce N1 65.97(11) 2_656 .
O31 Ce N1 94.16(12) . .
N1 Ce N1 156.90(17) 2_656 .
O25 Ce N12 118.92(12) . 2_656
O25 Ce N12 71.27(12) 2_656 2_656
O21 Ce N12 66.41(12) . 2_656
O21 Ce N12 131.88(12) 2_656 2_656
O31 Ce N12 64.18(12) 2_656 2_656
O31 Ce N12 98.86(12) . 2_656
N1 Ce N12 58.34(13) 2_656 2_656
N1 Ce N12 117.22(13) . 2_656
O25 Ce N12 71.27(12) . .
O25 Ce N12 118.93(12) 2_656 .
O21 Ce N12 131.88(12) . .
O21 Ce N12 66.41(12) 2_656 .
O31 Ce N12 98.86(12) 2_656 .
O31 Ce N12 64.18(11) . .
N1 Ce N12 117.22(13) 2_656 .
N1 Ce N12 58.34(13) . .
N12 Ce N12 160.60(18) 2_656 .
C2 N1 C6 117.4(5) . .
C2 N1 Ce 118.9(3) . .
C6 N1 Ce 122.8(3) . .
N1 C2 C3 123.9(5) . .
N1 C2 H2A 118.0 . .
C3 C2 H2A 118.0 . .
C4 C3 C2 117.7(6) . .
C4 C3 H3A 121.1 . .
C2 C3 H3A 121.1 . .
C5 C4 C3 119.2(6) . .
C5 C4 H4A 120.4 . .
C3 C4 H4A 120.4 . .
C4 C5 C6 120.1(5) . .
C4 C5 H5A 120.0 . .
C6 C5 H5A 120.0 . .
N1 C6 C5 121.7(5) . .
N1 C6 C7 116.0(5) . .
C5 C6 C7 122.2(5) . .
N12 C7 C8 121.1(5) . .
N12 C7 C6 116.6(4) . .
C8 C7 C6 122.2(5) . .
C9 C8 C7 119.6(6) . .
C9 C8 H8A 120.2 . .
C7 C8 H8A 120.2 . .
C10 C9 C8 119.5(6) . .
C10 C9 H9A 120.2 . .
C8 C9 H9A 120.2 . .
C9 C10 C11 117.7(6) . .
C9 C10 H10A 121.2 . .
C11 C10 H10A 121.2 . .
N12 C11 C10 124.4(6) . .
N12 C11 H11A 117.8 . .
C10 C11 H11A 117.8 . .
C7 N12 C11 117.7(5) . .
C7 N12 Ce 122.9(3) . .
C11 N12 Ce 118.6(4) . .
C22B O21 Ce 138.2(13) . .
C22A O21 Ce 138.4(4) . .
O21 C22A C23A 126.4(6) . .
O21 C22A C26 114.5(6) . .
C23A C22A C26 119.0(6) . .
C24A C23A C22A 122.2(7) . .
C24A C23A H23A 118.9 . .
C22A C23A H23A 118.9 . .
O25 C24A C23A 129.3(8) . .
O25 C24A C27 114.7(8) . .
C23A C24A C27 115.9(8) . .
O21 C22B C23B 126(2) . .
O21 C22B C26 113.1(19) . .
C23B C22B C26 120.9(19) . .
C22B C23B C24B 122(2) . .
C22B C23B H23B 119.0 . .
C24B C23B H23B 119.0 . .
O25 C24B C23B 126(3) 2_656 .
O25 C24B C27 125(3) 2_656 2_656
C24B O25 Ce 136.6(16) 2_656 .
C24A O25 Ce 134.2(5) . .
F23B C26 F22B 131.4(19) . .
F23B C26 F21B 113.5(16) . .
F22B C26 F21B 95.1(16) . .
F23A C26 F22A 118.4(17) . .
F23A C26 F21A 87.7(10) . .
F22A C26 F21A 89.6(9) . .
F23A C26 C22A 107.0(12) . .
F22A C26 C22A 128.8(10) . .
F21A C26 C22A 115.7(7) . .
F25B C27 F24B 106.1(13) . .
F24A C27 F25A 129.8(17) . .
F24A C27 F26A 95(2) . .
F25A C27 F26A 105.3(13) . .
F25B C27 F26B 94.0(16) . .
F24B C27 F26B 112.1(13) . .
F24A C27 C24B 111.2(18) . 2_656
F25A C27 C24B 112.0(16) . 2_656
F26A C27 C24B 95.5(17) . 2_656
F24A C27 C24A 91.2(13) . .
F25A C27 C24A 117.9(8) . .
F26A C27 C24A 116.7(12) . .
C32 O31 Ce 138.5(3) . .
O31 C32 C33 127.5(5) . .
O31 C32 C34 114.2(5) . .
C33 C32 C34 118.3(5) . .
C32 C33 C32 121.1(7) . 2_656
C32 C33 H33A 119.4 . .
C32 C33 H33A 119.4 2_656 .
F31 C34 F32 108.0(5) . .
F31 C34 F33 106.2(6) . .
F32 C34 F33 105.6(5) . .
F31 C34 C32 110.9(5) . .
F32 C34 C32 114.1(5) . .
F33 C34 C32 111.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce O25 2.503(3) .
Ce O25 2.503(3) 2_656
Ce O21 2.517(3) .
Ce O21 2.517(3) 2_656
Ce O31 2.530(3) 2_656
Ce O31 2.530(3) .
Ce N1 2.744(4) 2_656
Ce N1 2.744(4) .
Ce N12 2.755(4) 2_656
Ce N12 2.755(4) .
N1 C2 1.345(7) .
N1 C6 1.352(6) .
C2 C3 1.387(7) .
C2 H2A 0.9500 .
C3 C4 1.385(8) .
C3 H3A 0.9500 .
C4 C5 1.369(8) .
C4 H4A 0.9500 .
C5 C6 1.387(8) .
C5 H5A 0.9500 .
C6 C7 1.491(7) .
C7 N12 1.332(7) .
C7 C8 1.401(7) .
C8 C9 1.375(9) .
C8 H8A 0.9500 .
C9 C10 1.359(9) .
C9 H9A 0.9500 .
C10 C11 1.380(7) .
C10 H10A 0.9500 .
C11 N12 1.339(7) .
C11 H11A 0.9500 .
O21 C22B 1.13(2) .
O21 C22A 1.233(7) .
C22A C23A 1.386(10) .
C22A C26 1.524(9) .
C23A C24A 1.363(12) .
C23A H23A 0.9500 .
C24A O25 1.289(11) .
C24A C27 1.497(11) .
C22B C23B 1.40(3) .
C22B C26 1.64(2) .
C23B C24B 1.45(4) .
C23B H23B 0.9500 .
C24B O25 1.15(4) 2_656
C24B C27 1.49(3) 2_656
C26 F23B 1.221(11) .
C26 F22B 1.281(12) .
C26 F21B 1.285(10) .
C26 F23A 1.300(12) .
C26 F22A 1.302(11) .
C26 F21A 1.350(10) .
C27 F25B 1.218(11) .
C27 F24B 1.258(11) .
C27 F24A 1.269(13) .
C27 F25A 1.291(10) .
C27 F26A 1.299(13) .
C27 F26B 1.311(11) .
O31 C32 1.246(6) .
C32 C33 1.394(6) .
C32 C34 1.525(7) .
C33 H33A 0.9500 .
C34 F31 1.300(7) .
C34 F32 1.309(7) .
C34 F33 1.321(7) .
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_4
C6 N1 C2 C3 0.4(7) .
Ce N1 C2 C3 -169.3(4) .
N1 C2 C3 C4 0.7(8) .
C2 C3 C4 C5 -1.1(8) .
C3 C4 C5 C6 0.5(9) .
C2 N1 C6 C5 -1.0(7) .
Ce N1 C6 C5 168.2(4) .
C2 N1 C6 C7 175.9(4) .
Ce N1 C6 C7 -14.9(6) .
C4 C5 C6 N1 0.6(8) .
C4 C5 C6 C7 -176.1(5) .
N1 C6 C7 N12 0.1(6) .
C5 C6 C7 N12 177.0(5) .
N1 C6 C7 C8 -176.8(5) .
C5 C6 C7 C8 0.1(8) .
N12 C7 C8 C9 -1.1(9) .
C6 C7 C8 C9 175.6(5) .
C7 C8 C9 C10 0.2(10) .
C8 C9 C10 C11 0.6(10) .
C9 C10 C11 N12 -0.5(10) .
C8 C7 N12 C11 1.1(8) .
C6 C7 N12 C11 -175.8(5) .
C8 C7 N12 Ce -168.4(4) .
C6 C7 N12 Ce 14.7(6) .
C10 C11 N12 C7 -0.3(8) .
C10 C11 N12 Ce 169.6(5) .
Ce O21 C22A C23A 4.5(11) .
Ce O21 C22A C26 -172.9(4) .
O21 C22A C23A C24A 3.8(13) .
C26 C22A C23A C24A -178.9(7) .
C22A C23A C24A O25 0.9(15) .
C22A C23A C24A C27 178.7(7) .
Ce O21 C22B C23B -10(4) .
Ce O21 C22B C26 170.0(4) .
O21 C22B C23B C24B -8(4) .
C26 C22B C23B C24B 172(2) .
C22B C23B C24B O25 4(4) 2_656
C22B C23B C24B C27 -167.2(19) 2_656
C23A C24A O25 Ce -13.6(13) .
C27 C24A O25 Ce 168.7(4) .
O21 C22A C26 F23A -61.4(13) .
C23A C22A C26 F23A 121.0(13) .
O21 C22A C26 F22A 90.8(14) .
C23A C22A C26 F22A -86.8(14) .
O21 C22A C26 F21A -157.1(9) .
C23A C22A C26 F21A 25.3(11) .
O25 C24A C27 F24A 87.9(17) .
C23A C24A C27 F24A -90.1(17) .
O25 C24A C27 F25A -134.7(14) .
C23A C24A C27 F25A 47.2(17) .
O25 C24A C27 F26A -8(2) .
C23A C24A C27 F26A 174(2) .
Ce O31 C32 C33 5.6(8) .
Ce O31 C32 C34 -173.2(3) .
O31 C32 C33 C32 -2.7(4) 2_656
C34 C32 C33 C32 176.1(5) 2_656
O31 C32 C34 F31 73.1(7) .
C33 C32 C34 F31 -105.8(6) .
O31 C32 C34 F32 -164.7(5) .
C33 C32 C34 F32 16.4(7) .
O31 C32 C34 F33 -45.1(7) .
C33 C32 C34 F33 136.0(5) .
