#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:25:19 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180261 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/47/7114793.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_7114793
loop_
_publ_author_name
'Iveson, Peter B.'
'Rivière, Christelle'
'Nierlich, Martine'
'Thuéry, Pierre'
'Ephritikhine, Michel'
'Guillaneux, Denis'
'Madic, Charles'
_publ_section_title
;
 Selective complexation of uranium(iii) over cerium(iii) by
 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray
 crystallography studies
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1512
_journal_paper_doi               10.1039/b103606h
_journal_year                    2001
_chemical_formula_sum            'C90 H90 Ce I3 N30'
_chemical_formula_weight         2112.74
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.078(3)
_cell_length_b                   13.889(3)
_cell_length_c                   24.741(5)
_cell_measurement_reflns_used    28115
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      24.68
_cell_measurement_theta_min      2.65
_cell_volume                     4732.9(18)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Kappa-CCD software (Nonius B.V., 1998)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 18
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ 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  0.0750
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28115
_diffrn_reflns_theta_full        24.68
_diffrn_reflns_theta_max         24.68
_diffrn_reflns_theta_min         2.65
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.520
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'translucent dark red'
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2114
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.240
_refine_diff_density_min         -1.507
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         7635
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0578P)²+14.4497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                5824
_reflns_number_total             7635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b103606h.txt
_cod_data_source_block           Ce(MeBTP)3I3.9C5H5N
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        4732.9(16)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7114793
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce Ce 0.2500 0.16122(3) 0.2500 0.02774(13) Uani 1 2 d S . .
I1 I 0.7500 0.14520(6) 0.2500 0.0779(3) Uani 1 2 d S . .
I2 I -0.09461(4) -0.20274(4) 0.449829(18) 0.05328(16) Uani 1 1 d . . .
N1A N 0.2500 -0.0289(4) 0.2500 0.0277(14) Uani 1 2 d S . .
N2A N 0.4671(3) 0.1265(4) 0.3430(2) 0.0387(12) Uani 1 1 d . . .
N3A N 0.3952(3) 0.0725(3) 0.31338(19) 0.0329(11) Uani 1 1 d . . .
N4A N 0.4962(3) -0.0670(4) 0.3233(2) 0.0379(12) Uani 1 1 d . . .
C1A C 0.3280(4) -0.0780(4) 0.2768(2) 0.0356(13) Uani 1 1 d . . .
C2A C 0.3302(5) -0.1789(5) 0.2773(3) 0.0451(16) Uani 1 1 d . . .
H2AA H 0.3849 -0.2117 0.2957 0.054 Uiso 1 1 calc R . .
C3A C 0.2500 -0.2283(7) 0.2500 0.050(2) Uani 1 2 d S . .
H3AA H 0.2500 -0.2953 0.2500 0.061 Uiso 1 2 calc SR . .
C4A C 0.4111(4) -0.0206(4) 0.3063(2) 0.0338(13) Uani 1 1 d . . .
C5A C 0.5687(4) -0.0126(5) 0.3496(3) 0.0406(15) Uani 1 1 d . . .
C6A C 0.5522(4) 0.0861(5) 0.3618(3) 0.0417(15) Uani 1 1 d . . .
C7A C 0.6682(5) -0.0549(5) 0.3649(3) 0.0574(19) Uani 1 1 d . . .
H7AA H 0.6661 -0.1212 0.3538 0.086 Uiso 1 1 calc R . .
H7AB H 0.6910 -0.0508 0.4042 0.086 Uiso 1 1 calc R . .
H7AC H 0.7113 -0.0200 0.3467 0.086 Uiso 1 1 calc R . .
C8A C 0.6295(5) 0.1473(5) 0.3953(3) 0.058(2) Uani 1 1 d . . .
H8AA H 0.6043 0.2107 0.3989 0.088 Uiso 1 1 calc R . .
H8AB H 0.6836 0.1513 0.3774 0.088 Uiso 1 1 calc R . .
H8AC H 0.6503 0.1194 0.4313 0.088 Uiso 1 1 calc R . .
N1B N 0.2724(3) 0.2576(3) 0.34302(18) 0.0297(10) Uani 1 1 d . . .
N2B N 0.0779(3) 0.0413(3) 0.3055(2) 0.0354(11) Uani 1 1 d . . .
N3B N 0.1424(3) 0.1145(3) 0.3195(2) 0.0336(11) Uani 1 1 d . . .
N4B N 0.0609(3) 0.1685(4) 0.3892(2) 0.0355(11) Uani 1 1 d . . .
N5B N 0.4376(4) 0.3109(3) 0.2307(2) 0.0360(11) Uani 1 1 d . . .
N6B N 0.3825(3) 0.2970(3) 0.26906(19) 0.0319(11) Uani 1 1 d . . .
N7B N 0.5003(4) 0.3705(4) 0.3386(2) 0.0396(12) Uani 1 1 d . . .
C1B C 0.3465(4) 0.3200(4) 0.3584(2) 0.0339(13) Uani 1 1 d . . .
C2B C 0.3603(5) 0.3720(5) 0.4071(3) 0.0455(16) Uani 1 1 d . . .
H2BA H 0.4137 0.4123 0.4172 0.055 Uiso 1 1 calc R . .
C3B C 0.2936(5) 0.3629(5) 0.4404(3) 0.0518(18) Uani 1 1 d . . .
H3BA H 0.2996 0.3998 0.4723 0.062 Uiso 1 1 calc R . .
C4B C 0.2170(5) 0.2979(5) 0.4260(3) 0.0444(16) Uani 1 1 d . . .
H4BA H 0.1722 0.2894 0.4484 0.053 Uiso 1 1 calc R . .
C5B C 0.2095(4) 0.2462(4) 0.3770(2) 0.0342(13) Uani 1 1 d . . .
C6B C 0.1325(4) 0.1722(4) 0.3604(2) 0.0323(13) Uani 1 1 d . . .
C7B C -0.0024(4) 0.0979(4) 0.3755(2) 0.0347(13) Uani 1 1 d . . .
C8B C 0.0078(4) 0.0306(4) 0.3332(2) 0.0374(14) Uani 1 1 d . . .
C9B C 0.4126(4) 0.3301(4) 0.3192(2) 0.0330(13) Uani 1 1 d . . .
C10B C 0.5570(4) 0.3795(5) 0.3022(3) 0.0403(15) Uani 1 1 d . . .
C11B C 0.5225(4) 0.3534(4) 0.2461(2) 0.0377(14) Uani 1 1 d . . .
C12B C -0.0834(5) 0.0894(5) 0.4057(3) 0.0466(16) Uani 1 1 d . . .
H12B H -0.0786 0.1404 0.4324 0.070 Uiso 1 1 calc R . .
H12C H -0.0793 0.0284 0.4243 0.070 Uiso 1 1 calc R . .
H12D H -0.1444 0.0940 0.3800 0.070 Uiso 1 1 calc R . .
C13B C -0.0599(5) -0.0515(5) 0.3170(3) 0.0438(15) Uani 1 1 d . . .
H13B H -0.0403 -0.0875 0.2880 0.066 Uiso 1 1 calc R . .
H13C H -0.1246 -0.0275 0.3041 0.066 Uiso 1 1 calc R . .
H13D H -0.0586 -0.0926 0.3483 0.066 Uiso 1 1 calc R . .
C14B C 0.6600(5) 0.4109(6) 0.3228(3) 0.060(2) Uani 1 1 d . . .
H14B H 0.6700 0.4253 0.3616 0.089 Uiso 1 1 calc R . .
H14C H 0.6727 0.4674 0.3031 0.089 Uiso 1 1 calc R . .
H14D H 0.7031 0.3602 0.3171 0.089 Uiso 1 1 calc R . .
C15B C 0.5787(5) 0.3712(5) 0.2021(3) 0.0528(18) Uani 1 1 d . . .
H15B H 0.5423 0.3483 0.1673 0.079 Uiso 1 1 calc R . .
H15C H 0.6396 0.3376 0.2110 0.079 Uiso 1 1 calc R . .
H15D H 0.5905 0.4389 0.1996 0.079 Uiso 1 1 calc R . .
C1 C 0.2393(8) 0.6247(7) 0.5218(4) 0.081(3) Uani 1 1 d . . .
H1A H 0.2893 0.6560 0.5094 0.097 Uiso 1 1 calc R . .
C2 C 0.1672(8) 0.6768(7) 0.5327(4) 0.080(3) Uani 1 1 d . . .
H2A H 0.1680 0.7432 0.5281 0.096 Uiso 1 1 calc R . .
C3 C 0.0927(7) 0.6356(8) 0.5502(4) 0.080(3) Uani 1 1 d . . .
H3A H 0.0417 0.6731 0.5570 0.096 Uiso 1 1 calc R . .
C4 C 0.0927(9) 0.5381(9) 0.5580(4) 0.096(3) Uani 1 1 d . . .
H4A H 0.0432 0.5072 0.5709 0.116 Uiso 1 1 calc R . .
C5 C 0.1733(10) 0.4862(7) 0.5451(4) 0.089(3) Uani 1 1 d . . .
H5A H 0.1756 0.4196 0.5492 0.107 Uiso 1 1 calc R . .
C6 C 0.3359(7) 0.5352(7) 0.1906(5) 0.086(3) Uani 1 1 d . . .
H6A H 0.2885 0.4896 0.1931 0.104 Uiso 1 1 calc R . .
C7 C 0.3344(16) 0.5706(10) 0.1408(8) 0.161(7) Uani 1 1 d . . .
H7A H 0.2850 0.5510 0.1118 0.193 Uiso 1 1 calc R . .
C8 C 0.3947(11) 0.6279(12) 0.1308(7) 0.140(5) Uani 1 1 d . . .
H8 H 0.3909 0.6497 0.0949 0.167 Uiso 1 1 calc R . .
C9 C 0.4610(8) 0.6571(8) 0.1687(5) 0.088(3) Uani 1 1 d . . .
H9A H 0.5071 0.6990 0.1599 0.106 Uiso 1 1 calc R . .
C10 C 0.4694(8) 0.6292(9) 0.2243(7) 0.116(5) Uani 1 1 d . . .
H10 H 0.5175 0.6538 0.2525 0.140 Uiso 1 1 calc R . .
C11 C 0.7436(9) -0.0396(8) 0.5296(4) 0.095(4) Uani 1 1 d . . .
H11A H 0.7412 -0.0951 0.5083 0.114 Uiso 1 1 calc R . .
C12 C 0.6704(9) -0.0169(9) 0.5561(5) 0.102(4) Uani 1 1 d . . .
H12A H 0.6171 -0.0579 0.5515 0.122 Uiso 1 1 calc R . .
C13 C 0.6709(9) 0.0596(8) 0.5879(5) 0.100(4) Uani 1 1 d . . .
H13A H 0.6221 0.0708 0.6073 0.120 Uiso 1 1 calc R . .
C14 C 0.7437(11) 0.1187(10) 0.5904(5) 0.119(5) Uani 1 1 d . . .
H14A H 0.7418 0.1757 0.6099 0.143 Uiso 1 1 calc R . .
C15 C 0.8228(9) 0.1047(9) 0.5671(5) 0.100(3) Uani 1 1 d . . .
H15A H 0.8746 0.1477 0.5721 0.120 Uiso 1 1 calc R . .
C16 C -0.2246(5) -0.3580(5) 0.2969(3) 0.0509(17) Uani 1 1 d . . .
H16A H -0.2072 -0.3913 0.3300 0.061 Uiso 1 1 calc R . .
C17 C -0.2231(5) -0.2602(5) 0.2984(3) 0.0538(18) Uani 1 1 d . . .
H17A H -0.2042 -0.2273 0.3316 0.065 Uiso 1 1 calc R . .
C18 C -0.2500 -0.2122(8) 0.2500 0.069(3) Uani 1 2 d S . .
H18A H -0.2500 -0.1452 0.2500 0.082 Uiso 1 2 calc SR . .
N1 N 0.2438(7) 0.5299(7) 0.5277(3) 0.094(3) Uani 1 1 d . . .
N2 N 0.3944(9) 0.5561(8) 0.2355(4) 0.108(3) Uani 1 1 d . . .
N3 N 0.8205(8) 0.0227(10) 0.5357(4) 0.118(3) Uani 1 1 d U . .
N4 N -0.2500 -0.4089(6) 0.2500 0.057(2) Uani 1 2 d S . .
N5 N 0.5794 -0.3299 0.3955 0.120 Uiso 0.50 1 d P A 1
C19A C 0.4913 -0.3765 0.3829 0.120 Uiso 0.50 1 d P A 1
C20A C 0.4222 -0.3591 0.4137 0.120 Uiso 0.50 1 d P A 1
C21A C 0.4411 -0.2951 0.4571 0.120 Uiso 0.50 1 d P A 1
C22A C 0.5292 -0.2485 0.4697 0.120 Uiso 0.50 1 d P A 1
C23A C 0.5983 -0.2659 0.4389 0.120 Uiso 0.50 1 d P A 1
N6 N 0.5741 -0.3485 0.4035 0.120 Uiso 0.50 1 d P B 2
C19B C 0.5416 -0.2551 0.4050 0.120 Uiso 0.50 1 d P B 2
C20B C 0.4727 -0.2329 0.4353 0.120 Uiso 0.50 1 d P B 2
C21B C 0.4362 -0.3041 0.4640 0.120 Uiso 0.50 1 d P B 2
C22B C 0.4687 -0.3974 0.4625 0.120 Uiso 0.50 1 d P B 2
C23B C 0.5376 -0.4196 0.4322 0.120 Uiso 0.50 1 d P B 2
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'
I I -0.4742 1.8119 '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
N3B Ce N3B 151.1(2) . 2
N3B Ce N3A 77.79(15) . 2
N3B Ce N3A 88.61(15) 2 2
N3B Ce N3A 88.61(15) . .
N3B Ce N3A 77.79(15) 2 .
N3A Ce N3A 123.7(2) 2 .
N3B Ce N1B 136.64(14) . 2
N3B Ce N1B 61.82(14) 2 2
N3A Ce N1B 77.13(14) 2 2
N3A Ce N1B 134.75(14) . 2
N3B Ce N1B 61.83(14) . .
N3B Ce N1B 136.64(14) 2 .
N3A Ce N1B 134.74(14) 2 .
N3A Ce N1B 77.13(14) . .
N1B Ce N1B 118.67(19) 2 .
N3B Ce N6B 78.95(15) . 2
N3B Ce N6B 123.40(15) 2 2
N3A Ce N6B 78.03(15) 2 2
N3A Ce N6B 152.24(14) . 2
N1B Ce N6B 61.59(14) 2 2
N1B Ce N6B 75.12(14) . 2
N3B Ce N6B 123.41(15) . .
N3B Ce N6B 78.95(15) 2 .
N3A Ce N6B 152.24(15) 2 .
N3A Ce N6B 78.03(15) . .
N1B Ce N6B 75.12(14) 2 .
N1B Ce N6B 61.60(14) . .
N6B Ce N6B 88.2(2) 2 .
N3B Ce N1A 75.53(11) . .
N3B Ce N1A 75.53(11) 2 .
N3A Ce N1A 61.85(10) 2 .
N3A Ce N1A 61.85(10) . .
N1B Ce N1A 120.66(10) 2 .
N1B Ce N1A 120.66(10) . .
N6B Ce N1A 135.90(10) 2 .
N6B Ce N1A 135.90(10) . .
C1A N1A C1A 119.0(7) 2 .
C1A N1A Ce 120.5(3) 2 .
C1A N1A Ce 120.5(3) . .
C6A N2A N3A 118.7(5) . .
C4A N3A N2A 119.0(5) . .
C4A N3A Ce 120.8(4) . .
N2A N3A Ce 118.0(3) . .
C5A N4A C4A 115.2(5) . .
N1A C1A C2A 121.7(6) . .
N1A C1A C4A 116.8(5) . .
C2A C1A C4A 121.4(5) . .
C3A C2A C1A 118.8(6) . .
C2A C3A C2A 119.9(9) . 2
N3A C4A N4A 125.9(5) . .
N3A C4A C1A 116.9(5) . .
N4A C4A C1A 117.2(5) . .
N4A C5A C6A 120.4(5) . .
N4A C5A C7A 119.1(6) . .
C6A C5A C7A 120.5(6) . .
N2A C6A C5A 120.5(6) . .
N2A C6A C8A 117.4(6) . .
C5A C6A C8A 122.1(6) . .
C5B N1B C1B 118.0(5) . .
C5B N1B Ce 120.7(4) . .
C1B N1B Ce 121.3(4) . .
C8B N2B N3B 118.9(5) . .
C6B N3B N2B 118.6(5) . .
C6B N3B Ce 121.5(4) . .
N2B N3B Ce 117.9(3) . .
C7B N4B C6B 115.6(5) . .
C11B N5B N6B 118.5(5) . .
C9B N6B N5B 119.5(5) . .
C9B N6B Ce 120.1(4) . .
N5B N6B Ce 117.6(3) . .
C10B N7B C9B 115.6(5) . .
N1B C1B C2B 122.8(5) . .
N1B C1B C9B 115.5(5) . .
C2B C1B C9B 121.7(5) . .
C3B C2B C1B 118.9(6) . .
C2B C3B C4B 119.5(6) . .
C3B C4B C5B 118.2(6) . .
N1B C5B C4B 122.6(5) . .
N1B C5B C6B 116.3(5) . .
C4B C5B C6B 121.1(5) . .
N3B C6B N4B 126.1(5) . .
N3B C6B C5B 116.4(5) . .
N4B C6B C5B 117.5(5) . .
N4B C7B C8B 120.4(5) . .
N4B C7B C12B 118.4(5) . .
C8B C7B C12B 121.2(6) . .
N2B C8B C7B 120.3(5) . .
N2B C8B C13B 116.9(5) . .
C7B C8B C13B 122.8(5) . .
N6B C9B N7B 125.2(5) . .
N6B C9B C1B 117.5(5) . .
N7B C9B C1B 117.2(5) . .
N7B C10B C11B 120.4(5) . .
N7B C10B C14B 118.1(6) . .
C11B C10B C14B 121.3(6) . .
N5B C11B C10B 120.3(5) . .
N5B C11B C15B 116.7(5) . .
C10B C11B C15B 123.0(5) . .
C2 C1 N1 122.9(10) . .
C1 C2 C3 121.2(10) . .
C2 C3 C4 119.4(10) . .
C3 C4 C5 116.2(10) . .
N1 C5 C4 121.9(9) . .
N2 C6 C7 127.6(13) . .
C8 C7 C6 123(2) . .
C7 C8 C9 120(2) . .
C8 C9 C10 122.9(14) . .
C9 C10 N2 115.9(10) . .
C12 C11 N3 117.3(12) . .
C13 C12 C11 124.0(12) . .
C14 C13 C12 116.2(10) . .
C13 C14 C15 126.1(13) . .
C14 C15 N3 115.4(13) . .
N4 C16 C17 123.4(7) . .
C18 C17 C16 117.9(8) . .
C17 C18 C17 120.9(11) 2_455 .
C5 N1 C1 118.4(9) . .
C6 N2 C10 109.9(10) . .
C15 N3 C11 120.7(11) . .
C16 N4 C16 116.3(9) . 2_455
C23A N5 C19A 120.0 . .
C20A C19A N5 120.0 . .
C19A C20A C21A 120.0 . .
C22A C21A C20A 120.0 . .
C23A C22A C21A 120.0 . .
C22A C23A N5 120.0 . .
C19B N6 C23B 120.0 . .
C20B C19B N6 120.0 . .
C19B C20B C21B 120.0 . .
C22B C21B C20B 120.0 . .
C21B C22B C23B 120.0 . .
C22B C23B N6 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce N3B 2.598(5) .
Ce N3B 2.598(5) 2
Ce N3A 2.613(5) 2
Ce N3A 2.613(5) .
Ce N1B 2.624(4) 2
Ce N1B 2.624(4) .
Ce N6B 2.625(5) 2
Ce N6B 2.625(5) .
Ce N1A 2.641(6) .
N1A C1A 1.345(7) 2
N1A C1A 1.345(7) .
N2A C6A 1.317(8) .
N2A N3A 1.349(7) .
N3A C4A 1.330(7) .
N4A C5A 1.328(8) .
N4A C4A 1.348(7) .
C1A C2A 1.400(8) .
C1A C4A 1.478(8) .
C2A C3A 1.373(8) .
C3A C2A 1.373(8) 2
C5A C6A 1.434(9) .
C5A C7A 1.493(8) .
C6A C8A 1.490(9) .
N1B C5B 1.350(7) .
N1B C1B 1.349(7) .
N2B C8B 1.322(7) .
N2B N3B 1.358(7) .
N3B C6B 1.321(7) .
N4B C7B 1.321(8) .
N4B C6B 1.350(7) .
N5B C11B 1.317(7) .
N5B N6B 1.358(6) .
N6B C9B 1.308(7) .
N7B C10B 1.328(8) .
N7B C9B 1.350(7) .
C1B C2B 1.384(8) .
C1B C9B 1.483(8) .
C2B C3B 1.377(9) .
C3B C4B 1.394(9) .
C4B C5B 1.394(8) .
C5B C6B 1.488(8) .
C7B C8B 1.433(8) .
C7B C12B 1.492(8) .
C8B C13B 1.488(8) .
C10B C11B 1.419(9) .
C10B C14B 1.499(9) .
C11B C15B 1.495(8) .
C1 C2 1.318(12) .
C1 N1 1.325(12) .
C2 C3 1.342(13) .
C3 C4 1.369(14) .
C4 C5 1.436(15) .
C5 N1 1.309(13) .
C6 N2 1.271(13) .
C6 C7 1.324(18) .
C7 C8 1.226(19) .
C8 C9 1.245(16) .
C9 C10 1.411(17) .
C10 N2 1.531(16) .
C11 C12 1.367(13) .
C11 N3 1.370(15) .
C12 C13 1.322(15) .
C13 C14 1.304(17) .
C14 C15 1.371(15) .
C15 N3 1.375(15) .
C16 N4 1.342(8) .
C16 C17 1.358(10) .
C17 C18 1.354(9) .
C18 C17 1.354(9) 2_455
N4 C16 1.342(8) 2_455
N5 C23A 1.3760 .
N5 C19A 1.3761 .
C19A C20A 1.3759 .
C20A C21A 1.3760 .
C21A C22A 1.3760 .
C22A C23A 1.3758 .
N6 C19B 1.3780 .
N6 C23B 1.3780 .
C19B C20B 1.3778 .
C20B C21B 1.3779 .
C21B C22B 1.3778 .
C22B C23B 1.3780 .
