#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:38:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179196 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/35/4313573.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_4313573
loop_
_publ_author_name
'Steven C. F. Kui'
'Hung-Wing Li'
'Hung Kay Lee'
_publ_section_title
;
 Cerium(III) and Neodymium(III) Amides Derived from a Chelating 2-Pyridyl
 Amido Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2824
_journal_page_last               2826
_journal_paper_doi               10.1021/ic0340534
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C36 H63 Ce N6 Si3'
_chemical_formula_weight         804.31
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.888(2)
_cell_angle_beta                 92.293(2)
_cell_angle_gamma                99.431(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8212(14)
_cell_length_b                   13.6533(15)
_cell_length_c                   15.7738(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2459.6(5)
_computing_cell_refinement       'BRUKER SMART CCD DIFFRACTOMETER'
_computing_data_collection       'BRUKER SMART CCD DIFFRACTOMETER'
_computing_data_reduction        'BRUKER SMART CCD DIFFRACTOMETER'
_computing_molecular_graphics    'SIEMENS SHELXTL'
_computing_publication_material  'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'BRUKER SMART CCD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA SCAN'
_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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17127
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5921
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.086
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         11621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.075
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0691P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1299
_reflns_number_gt                8862
_reflns_number_total             11621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0340534_1.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313573
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.231425(16) 0.195350(14) 0.315476(13) 0.05345(9) Uani 1 1 d . . .
Si1 Si -0.07192(11) 0.16251(12) 0.21906(10) 0.0883(4) Uani 1 1 d . . .
Si2 Si 0.28335(10) -0.07413(8) 0.24781(7) 0.0643(3) Uani 1 1 d . . .
Si3 Si 0.16222(10) 0.22139(9) 0.54715(8) 0.0667(3) Uani 1 1 d . . .
N1 N 0.0727(3) 0.1837(2) 0.2083(2) 0.0670(8) Uani 1 1 d . . .
N2 N 0.2505(3) 0.2214(3) 0.1600(2) 0.0706(9) Uani 1 1 d . . .
N3 N 0.3290(3) 0.0496(2) 0.2993(2) 0.0579(7) Uani 1 1 d . . .
N4 N 0.4444(2) 0.1986(2) 0.3600(2) 0.0564(7) Uani 1 1 d . . .
N5 N 0.1953(3) 0.2762(2) 0.46067(19) 0.0569(7) Uani 1 1 d . . .
N6 N 0.2431(3) 0.3876(2) 0.3710(2) 0.0571(7) Uani 1 1 d . . .
C1 C 0.1357(4) 0.1950(3) 0.1395(3) 0.0713(11) Uani 1 1 d . . .
C2 C 0.0952(6) 0.1807(5) 0.0526(3) 0.111(2) Uani 1 1 d . . .
H2A H 0.0169 0.1634 0.0364 0.134 Uiso 1 1 calc R . .
C3 C 0.1721(9) 0.1924(7) -0.0066(4) 0.150(3) Uani 1 1 d . . .
H3A H 0.1455 0.1825 -0.0644 0.180 Uiso 1 1 calc R . .
C4 C 0.2897(8) 0.2187(6) 0.0147(4) 0.134(3) Uani 1 1 d . . .
H4A H 0.3418 0.2276 -0.0270 0.160 Uiso 1 1 calc R . .
C5 C 0.3247(5) 0.2309(4) 0.0995(4) 0.0955(16) Uani 1 1 d . . .
C6 C 0.4493(5) 0.2551(5) 0.1295(4) 0.128(2) Uani 1 1 d . . .
H6A H 0.4574 0.2610 0.1912 0.192 Uiso 1 1 calc R . .
H6B H 0.4831 0.3180 0.1147 0.192 Uiso 1 1 calc R . .
H6C H 0.4874 0.2020 0.1020 0.192 Uiso 1 1 calc R . .
C7 C -0.0826(5) 0.1327(8) 0.3292(6) 0.195(5) Uani 1 1 d . . .
H7A H -0.0497 0.0734 0.3315 0.292 Uiso 1 1 calc R . .
H7B H -0.1619 0.1205 0.3416 0.292 Uiso 1 1 calc R . .
H7C H -0.0416 0.1888 0.3712 0.292 Uiso 1 1 calc R . .
C8 C -0.1545(6) 0.0515(6) 0.1429(7) 0.189(4) Uani 1 1 d . . .
H8A H -0.1192 -0.0067 0.1445 0.283 Uiso 1 1 calc R . .
H8B H -0.1550 0.0650 0.0853 0.283 Uiso 1 1 calc R . .
H8C H -0.2320 0.0387 0.1594 0.283 Uiso 1 1 calc R . .
C9 C -0.1379(4) 0.2799(5) 0.2186(3) 0.0935(15) Uani 1 1 d . . .
C10 C -0.1336(9) 0.3052(7) 0.1303(5) 0.177(4) Uani 1 1 d . . .
H10A H -0.1670 0.3646 0.1297 0.266 Uiso 1 1 calc R . .
H10B H -0.1760 0.2495 0.0886 0.266 Uiso 1 1 calc R . .
H10C H -0.0551 0.3176 0.1159 0.266 Uiso 1 1 calc R . .
C11 C -0.2642(7) 0.2619(10) 0.2345(9) 0.249(7) Uani 1 1 d . . .
H11A H -0.2947 0.3227 0.2338 0.373 Uiso 1 1 calc R . .
H11B H -0.2734 0.2432 0.2898 0.373 Uiso 1 1 calc R . .
H11C H -0.3046 0.2083 0.1900 0.373 Uiso 1 1 calc R . .
C12 C -0.0790(8) 0.3633(6) 0.2853(6) 0.202(5) Uani 1 1 d . . .
H12A H -0.1131 0.4223 0.2845 0.303 Uiso 1 1 calc R . .
H12B H 0.0008 0.3777 0.2745 0.303 Uiso 1 1 calc R . .
H12C H -0.0857 0.3449 0.3410 0.303 Uiso 1 1 calc R . .
C13 C 0.4272(3) 0.0961(3) 0.3469(2) 0.0542(8) Uani 1 1 d . . .
C14 C 0.5091(4) 0.0498(3) 0.3855(3) 0.0696(10) Uani 1 1 d . . .
H14A H 0.4998 -0.0204 0.3772 0.084 Uiso 1 1 calc R . .
C15 C 0.6016(4) 0.1087(4) 0.4350(3) 0.0803(13) Uani 1 1 d . . .
H15A H 0.6552 0.0783 0.4605 0.096 Uiso 1 1 calc R . .
C16 C 0.6165(4) 0.2136(4) 0.4476(3) 0.0785(12) Uani 1 1 d . . .
H16A H 0.6803 0.2541 0.4804 0.094 Uiso 1 1 calc R . .
C17 C 0.5350(3) 0.2555(3) 0.4106(3) 0.0671(10) Uani 1 1 d . . .
C18 C 0.5430(4) 0.3698(3) 0.4206(4) 0.1018(18) Uani 1 1 d . . .
H18A H 0.4782 0.3838 0.3891 0.153 Uiso 1 1 calc R . .
H18B H 0.6127 0.3977 0.3981 0.153 Uiso 1 1 calc R . .
H18C H 0.5430 0.3999 0.4807 0.153 Uiso 1 1 calc R . .
C19 C 0.1282(4) -0.0805(4) 0.2146(4) 0.1033(18) Uani 1 1 d . . .
H19A H 0.0872 -0.0636 0.2651 0.155 Uiso 1 1 calc R . .
H19B H 0.0963 -0.1479 0.1843 0.155 Uiso 1 1 calc R . .
H19C H 0.1215 -0.0334 0.1773 0.155 Uiso 1 1 calc R . .
C20 C 0.2878(5) -0.1685(3) 0.3189(3) 0.0883(14) Uani 1 1 d . . .
H20A H 0.2462 -0.1506 0.3689 0.132 Uiso 1 1 calc R . .
H20B H 0.3662 -0.1689 0.3368 0.132 Uiso 1 1 calc R . .
H20C H 0.2532 -0.2346 0.2874 0.132 Uiso 1 1 calc R . .
C21 C 0.3646(5) -0.1070(4) 0.1486(3) 0.0921(15) Uani 1 1 d . . .
C22 C 0.3430(9) -0.0428(6) 0.0849(4) 0.171(4) Uani 1 1 d . . .
H22A H 0.3846 -0.0603 0.0348 0.257 Uiso 1 1 calc R . .
H22B H 0.3683 0.0273 0.1109 0.257 Uiso 1 1 calc R . .
H22C H 0.2623 -0.0543 0.0681 0.257 Uiso 1 1 calc R . .
C23 C 0.3211(9) -0.2188(5) 0.1035(5) 0.173(4) Uani 1 1 d . . .
H23A H 0.3627 -0.2352 0.0532 0.259 Uiso 1 1 calc R . .
H23B H 0.2405 -0.2279 0.0865 0.259 Uiso 1 1 calc R . .
H23C H 0.3330 -0.2624 0.1428 0.259 Uiso 1 1 calc R . .
C24 C 0.4926(6) -0.0901(7) 0.1728(5) 0.164(3) Uani 1 1 d . . .
H24A H 0.5324 -0.1074 0.1217 0.246 Uiso 1 1 calc R . .
H24B H 0.5075 -0.1321 0.2130 0.246 Uiso 1 1 calc R . .
H24C H 0.5190 -0.0203 0.1990 0.246 Uiso 1 1 calc R . .
C25 C 0.1952(3) 0.3712(3) 0.4452(2) 0.0531(8) Uani 1 1 d . . .
C26 C 0.1487(3) 0.4509(3) 0.4960(3) 0.0627(9) Uani 1 1 d . . .
H26A H 0.1164 0.4420 0.5474 0.075 Uiso 1 1 calc R . .
C27 C 0.1518(4) 0.5394(3) 0.4689(3) 0.0720(11) Uani 1 1 d . . .
H27A H 0.1207 0.5911 0.5018 0.086 Uiso 1 1 calc R . .
C28 C 0.1998(4) 0.5544(3) 0.3938(3) 0.0727(11) Uani 1 1 d . . .
H28A H 0.2015 0.6155 0.3755 0.087 Uiso 1 1 calc R . .
C29 C 0.2459(4) 0.4767(3) 0.3457(3) 0.0675(10) Uani 1 1 d . . .
C30 C 0.3025(6) 0.4868(4) 0.2637(3) 0.1063(18) Uani 1 1 d . . .
H30A H 0.3286 0.4249 0.2404 0.159 Uiso 1 1 calc R . .
H30B H 0.3669 0.5415 0.2757 0.159 Uiso 1 1 calc R . .
H30C H 0.2483 0.5005 0.2224 0.159 Uiso 1 1 calc R . .
C31 C 0.0172(4) 0.2355(4) 0.5855(4) 0.0996(16) Uani 1 1 d . . .
H31A H 0.0162 0.3057 0.6086 0.149 Uiso 1 1 calc R . .
H31B H 0.0008 0.1968 0.6297 0.149 Uiso 1 1 calc R . .
H31C H -0.0399 0.2115 0.5378 0.149 Uiso 1 1 calc R . .
C32 C 0.1595(5) 0.0818(3) 0.5015(4) 0.0986(16) Uani 1 1 d . . .
H32A H 0.1030 0.0593 0.4534 0.148 Uiso 1 1 calc R . .
H32B H 0.1403 0.0433 0.5456 0.148 Uiso 1 1 calc R . .
H32C H 0.2338 0.0723 0.4826 0.148 Uiso 1 1 calc R . .
C33 C 0.2748(5) 0.2662(4) 0.6427(3) 0.0866(14) Uani 1 1 d . . .
C34 C 0.2841(7) 0.3795(5) 0.6770(4) 0.136(3) Uani 1 1 d . . .
H34A H 0.3408 0.4008 0.7251 0.204 Uiso 1 1 calc R . .
H34B H 0.2110 0.3935 0.6956 0.204 Uiso 1 1 calc R . .
H34C H 0.3062 0.4157 0.6320 0.204 Uiso 1 1 calc R . .
C35 C 0.2437(7) 0.2133(6) 0.7176(4) 0.142(3) Uani 1 1 d . . .
H35A H 0.3019 0.2375 0.7645 0.213 Uiso 1 1 calc R . .
H35B H 0.2385 0.1415 0.6987 0.213 Uiso 1 1 calc R . .
H35C H 0.1710 0.2275 0.7368 0.213 Uiso 1 1 calc R . .
C36 C 0.3930(5) 0.2451(7) 0.6124(5) 0.147(3) Uani 1 1 d . . .
H36A H 0.4500 0.2674 0.6603 0.220 Uiso 1 1 calc R . .
H36B H 0.4139 0.2811 0.5671 0.220 Uiso 1 1 calc R . .
H36C H 0.3883 0.1738 0.5912 0.220 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
_geom_angle_publ_flag
N3 Ce1 N5 118.37(10) . . ?
N3 Ce1 N1 115.72(10) . . ?
N5 Ce1 N1 113.36(11) . . ?
N3 Ce1 N2 95.57(10) . . ?
N5 Ce1 N2 144.08(10) . . ?
N1 Ce1 N2 54.14(12) . . ?
N3 Ce1 N4 53.83(9) . . ?
N5 Ce1 N4 92.32(10) . . ?
N1 Ce1 N4 152.57(12) . . ?
N2 Ce1 N4 99.39(11) . . ?
N3 Ce1 N6 147.67(10) . . ?
N5 Ce1 N6 54.11(9) . . ?
N1 Ce1 N6 93.72(10) . . ?
N2 Ce1 N6 91.09(10) . . ?
N4 Ce1 N6 93.88(9) . . ?
N3 Ce1 C13 27.12(9) . . ?
N5 Ce1 C13 102.81(9) . . ?
N1 Ce1 C13 140.69(10) . . ?
N2 Ce1 C13 103.07(10) . . ?
N4 Ce1 C13 27.47(9) . . ?
N6 Ce1 C13 120.67(10) . . ?
N3 Ce1 C25 141.23(9) . . ?
N5 Ce1 C25 27.29(9) . . ?
N1 Ce1 C25 100.92(10) . . ?
N2 Ce1 C25 116.91(10) . . ?
N4 Ce1 C25 97.93(9) . . ?
N6 Ce1 C25 27.49(9) . . ?
C13 Ce1 C25 118.39(9) . . ?
N3 Ce1 C1 105.16(10) . . ?
N5 Ce1 C1 134.47(10) . . ?
N1 Ce1 C1 27.08(12) . . ?
N2 Ce1 C1 27.26(12) . . ?
N4 Ce1 C1 125.80(11) . . ?
N6 Ce1 C1 95.12(10) . . ?
C13 Ce1 C1 122.54(10) . . ?
C25 Ce1 C1 113.40(10) . . ?
N1 Si1 C8 115.1(3) . . ?
N1 Si1 C7 103.4(2) . . ?
C8 Si1 C7 106.5(5) . . ?
N1 Si1 C9 112.4(2) . . ?
C8 Si1 C9 111.3(3) . . ?
C7 Si1 C9 107.4(4) . . ?
N3 Si2 C19 104.33(19) . . ?
N3 Si2 C20 114.4(2) . . ?
C19 Si2 C20 106.4(3) . . ?
N3 Si2 C21 111.0(2) . . ?
C19 Si2 C21 109.7(3) . . ?
C20 Si2 C21 110.7(2) . . ?
N5 Si3 C31 113.9(2) . . ?
N5 Si3 C33 113.3(2) . . ?
C31 Si3 C33 109.3(3) . . ?
N5 Si3 C32 102.7(2) . . ?
C31 Si3 C32 107.8(3) . . ?
C33 Si3 C32 109.5(2) . . ?
C1 N1 Si1 132.5(3) . . ?
C1 N1 Ce1 98.1(2) . . ?
Si1 N1 Ce1 129.37(19) . . ?
C5 N2 C1 121.6(4) . . ?
C5 N2 Ce1 143.8(3) . . ?
C1 N2 Ce1 92.9(3) . . ?
C13 N3 Si2 131.6(2) . . ?
C13 N3 Ce1 97.5(2) . . ?
Si2 N3 Ce1 130.79(15) . . ?
C17 N4 C13 121.1(3) . . ?
C17 N4 Ce1 142.2(2) . . ?
C13 N4 Ce1 91.2(2) . . ?
C25 N5 Si3 133.2(3) . . ?
C25 N5 Ce1 97.8(2) . . ?
Si3 N5 Ce1 128.47(15) . . ?
C29 N6 C25 120.9(3) . . ?
C29 N6 Ce1 143.7(3) . . ?
C25 N6 Ce1 91.3(2) . . ?
N1 C1 N2 114.1(3) . . ?
N1 C1 C2 127.4(5) . . ?
N2 C1 C2 118.5(5) . . ?
N1 C1 Ce1 54.84(19) . . ?
N2 C1 Ce1 59.8(2) . . ?
C2 C1 Ce1 171.4(3) . . ?
C3 C2 C1 118.4(6) . . ?
C2 C3 C4 122.8(6) . . ?
C5 C4 C3 116.6(6) . . ?
N2 C5 C4 122.1(6) . . ?
N2 C5 C6 116.6(5) . . ?
C4 C5 C6 121.3(6) . . ?
C12 C9 C10 112.1(8) . . ?
C12 C9 C11 108.5(8) . . ?
C10 C9 C11 105.1(7) . . ?
C12 C9 Si1 110.2(4) . . ?
C10 C9 Si1 109.1(4) . . ?
C11 C9 Si1 111.7(6) . . ?
N3 C13 N4 114.4(3) . . ?
N3 C13 C14 127.3(3) . . ?
N4 C13 C14 118.3(3) . . ?
N3 C13 Ce1 55.34(16) . . ?
N4 C13 Ce1 61.35(17) . . ?
C14 C13 Ce1 163.6(3) . . ?
C15 C14 C13 119.6(4) . . ?
C14 C15 C16 120.7(4) . . ?
C15 C16 C17 118.0(4) . . ?
N4 C17 C16 122.1(4) . . ?
N4 C17 C18 115.5(4) . . ?
C16 C17 C18 122.3(4) . . ?
C22 C21 C24 108.9(7) . . ?
C22 C21 C23 107.1(6) . . ?
C24 C21 C23 110.2(6) . . ?
C22 C21 Si2 110.2(4) . . ?
C24 C21 Si2 110.6(4) . . ?
C23 C21 Si2 109.8(5) . . ?
N6 C25 N5 114.1(3) . . ?
N6 C25 C26 118.5(3) . . ?
N5 C25 C26 127.4(3) . . ?
N6 C25 Ce1 61.24(18) . . ?
N5 C25 Ce1 54.91(18) . . ?
C26 C25 Ce1 164.9(2) . . ?
C27 C26 C25 119.5(4) . . ?
C26 C27 C28 121.2(4) . . ?
C27 C28 C29 118.6(4) . . ?
N6 C29 C28 121.3(4) . . ?
N6 C29 C30 116.3(4) . . ?
C28 C29 C30 122.4(4) . . ?
C35 C33 C34 107.1(5) . . ?
C35 C33 C36 109.7(5) . . ?
C34 C33 C36 108.8(6) . . ?
C35 C33 Si3 111.6(5) . . ?
C34 C33 Si3 110.5(4) . . ?
C36 C33 Si3 109.0(4) . . ?
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 N3 2.437(3) . ?
Ce1 N5 2.434(3) . ?
Ce1 N1 2.439(3) . ?
Ce1 N2 2.557(3) . ?
Ce1 N4 2.578(3) . ?
Ce1 N6 2.584(3) . ?
Ce1 C13 2.937(3) . ?
Ce1 C25 2.947(3) . ?
Ce1 C1 2.954(4) . ?
Si1 N1 1.708(4) . ?
Si1 C8 1.851(6) . ?
Si1 C7 1.862(7) . ?
Si1 C9 1.896(6) . ?
Si2 N3 1.718(3) . ?
Si2 C19 1.870(5) . ?
Si2 C20 1.866(5) . ?
Si2 C21 1.889(5) . ?
Si3 N5 1.705(3) . ?
Si3 C31 1.868(5) . ?
Si3 C33 1.909(5) . ?
Si3 C32 1.900(5) . ?
N1 C1 1.359(6) . ?
N2 C5 1.332(6) . ?
N2 C1 1.355(5) . ?
N3 C13 1.350(4) . ?
N4 C17 1.346(5) . ?
N4 C13 1.355(4) . ?
N5 C25 1.364(4) . ?
N6 C29 1.346(5) . ?
N6 C25 1.361(5) . ?
C1 C2 1.400(6) . ?
C2 C3 1.343(10) . ?
C3 C4 1.389(11) . ?
C4 C5 1.355(8) . ?
C5 C6 1.493(8) . ?
C9 C12 1.455(9) . ?
C9 C10 1.498(9) . ?
C9 C11 1.511(9) . ?
C13 C14 1.418(5) . ?
C14 C15 1.362(6) . ?
C15 C16 1.390(6) . ?
C16 C17 1.363(6) . ?
C17 C18 1.525(6) . ?
C21 C22 1.492(8) . ?
C21 C24 1.515(9) . ?
C21 C23 1.551(8) . ?
C25 C26 1.425(5) . ?
C26 C27 1.353(6) . ?
C27 C28 1.369(6) . ?
C28 C29 1.385(6) . ?
C29 C30 1.498(6) . ?
C33 C35 1.524(8) . ?
C33 C34 1.524(9) . ?
C33 C36 1.548(8) . ?
