#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:17:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179962 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/56/7025670.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_7025670
loop_
_publ_author_name
'Mueller, Thomas J.'
'Ziller, Joseph W.'
'Evans, William J.'
_publ_section_title
;
 Sigma bond metathesis with pentamethylcyclopentadienyl ligands in
 sterically crowded (C5Me5)3M complexes.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6767
_journal_page_last               6773
_journal_paper_doi               10.1039/c002654a
_journal_volume                  39
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_sum            'C52 H70 Ce2 S2'
_chemical_formula_weight         1039.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3287(7)
_cell_length_b                   11.7979(8)
_cell_length_c                   19.4736(13)
_cell_measurement_reflns_used    9884
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.23
_cell_volume                     2373.0(3)
_computing_cell_refinement       'Bruker SMART APEX2/SAINT'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'phi and omega'
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26891
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    2.015
_exptl_absorpt_correction_T_max  0.7008
_exptl_absorpt_correction_T_min  0.5649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.152
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.001(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5782
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0359P)²+0.7357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                5498
_reflns_number_total             5782
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002654a.txt
_cod_data_source_block           tjm29
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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_sg_symbol_H-M      Pnn2
_cod_database_code               7025670
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z+1/2'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ce1 Ce 0.5000 0.5000 0.508349(6) 0.01302(6) Uani 1 2 d S
Ce2 Ce 0.5000 0.5000 0.247361(7) 0.01324(6) Uani 1 2 d S
S1 S 0.39024(4) 0.40728(3) 0.37740(5) 0.01783(8) Uani 1 1 d .
C1 C 0.2469(3) 0.50284(14) 0.55845(14) 0.0196(5) Uani 1 1 d .
C2 C 0.24852(19) 0.59129(16) 0.50923(11) 0.0170(4) Uani 1 1 d .
C3 C 0.32871(18) 0.67933(16) 0.53436(10) 0.0163(4) Uani 1 1 d .
C4 C 0.37579(19) 0.64619(17) 0.60032(11) 0.0182(4) Uani 1 1 d .
C5 C 0.32277(19) 0.53819(19) 0.61569(11) 0.0193(4) Uani 1 1 d .
C6 C 0.1695(2) 0.39468(18) 0.55369(12) 0.0260(4) Uani 1 1 d .
H6A H 0.2092 0.3367 0.5829 0.039 Uiso 1 1 calc R
H6B H 0.1684 0.3683 0.5060 0.039 Uiso 1 1 calc R
H6C H 0.0806 0.4089 0.5691 0.039 Uiso 1 1 calc R
C7 C 0.16550(19) 0.59837(18) 0.44595(11) 0.0224(4) Uani 1 1 d .
H7A H 0.0901 0.6464 0.4553 0.034 Uiso 1 1 calc R
H7B H 0.1364 0.5222 0.4331 0.034 Uiso 1 1 calc R
H7C H 0.2159 0.6311 0.4082 0.034 Uiso 1 1 calc R
C8 C 0.3446(2) 0.79402(17) 0.50165(11) 0.0204(4) Uani 1 1 d .
H8A H 0.3625 0.7847 0.4526 0.031 Uiso 1 1 calc R
H8B H 0.4168 0.8341 0.5235 0.031 Uiso 1 1 calc R
H8C H 0.2649 0.8379 0.5076 0.031 Uiso 1 1 calc R
C9 C 0.4494(2) 0.72303(18) 0.64845(12) 0.0242(4) Uani 1 1 d .
H9A H 0.4715 0.6814 0.6904 0.036 Uiso 1 1 calc R
H9B H 0.3955 0.7886 0.6602 0.036 Uiso 1 1 calc R
H9C H 0.5289 0.7491 0.6260 0.036 Uiso 1 1 calc R
C10 C 0.3204(3) 0.4805(2) 0.68499(13) 0.0255(5) Uani 1 1 d .
H10A H 0.4017 0.4958 0.7092 0.038 Uiso 1 1 calc R
H10B H 0.3103 0.3986 0.6787 0.038 Uiso 1 1 calc R
H10C H 0.2477 0.5097 0.7120 0.038 Uiso 1 1 calc R
C11 C 0.3168(2) 0.59136(17) 0.15659(11) 0.0181(4) Uani 1 1 d .
C12 C 0.27700(18) 0.62833(17) 0.22292(11) 0.0168(4) Uani 1 1 d .
C13 C 0.36781(19) 0.70826(17) 0.24678(10) 0.0171(4) Uani 1 1 d .
C14 C 0.4663(2) 0.71897(16) 0.19648(11) 0.0168(4) Uani 1 1 d .
C15 C 0.43369(19) 0.64859(16) 0.13976(10) 0.0163(4) Uani 1 1 d .
C16 C 0.2368(3) 0.5179(2) 0.10956(14) 0.0266(5) Uani 1 1 d .
H16A H 0.2667 0.5274 0.0622 0.040 Uiso 1 1 calc R
H16B H 0.1456 0.5401 0.1128 0.040 Uiso 1 1 calc R
H16C H 0.2462 0.4383 0.1231 0.040 Uiso 1 1 calc R
C17 C 0.15099(19) 0.5956(2) 0.25695(12) 0.0253(5) Uani 1 1 d .
H17A H 0.1648 0.5289 0.2860 0.038 Uiso 1 1 calc R
H17B H 0.0864 0.5779 0.2217 0.038 Uiso 1 1 calc R
H17C H 0.1200 0.6588 0.2852 0.038 Uiso 1 1 calc R
C18 C 0.3545(2) 0.78007(19) 0.30994(11) 0.0238(4) Uani 1 1 d .
H18A H 0.2638 0.8026 0.3156 0.036 Uiso 1 1 calc R
H18B H 0.4085 0.8479 0.3053 0.036 Uiso 1 1 calc R
H18C H 0.3825 0.7366 0.3502 0.036 Uiso 1 1 calc R
C19 C 0.5769(2) 0.80222(18) 0.19952(12) 0.0249(4) Uani 1 1 d .
H19A H 0.6470 0.7764 0.1694 0.037 Uiso 1 1 calc R
H19B H 0.6090 0.8074 0.2468 0.037 Uiso 1 1 calc R
H19C H 0.5468 0.8769 0.1844 0.037 Uiso 1 1 calc R
C20 C 0.49795(18) 0.6513(2) 0.07019(13) 0.0239(5) Uani 1 1 d .
H20A H 0.5561 0.7168 0.0675 0.036 Uiso 1 1 calc R
H20B H 0.4317 0.6573 0.0344 0.036 Uiso 1 1 calc R
H20C H 0.5478 0.5815 0.0635 0.036 Uiso 1 1 calc R
C21 C 0.29782(16) 0.28014(13) 0.37831(13) 0.0163(3) Uani 1 1 d .
C22 C 0.3470(2) 0.1821(2) 0.40844(12) 0.0260(4) Uani 1 1 d .
H22A H 0.4295 0.1843 0.4300 0.031 Uiso 1 1 calc R
C23 C 0.2777(2) 0.0814(2) 0.40749(13) 0.0313(5) Uani 1 1 d .
H23A H 0.3131 0.0153 0.4281 0.038 Uiso 1 1 calc R
C24 C 0.1571(2) 0.07700(17) 0.37663(17) 0.0317(4) Uani 1 1 d .
H24A H 0.1101 0.0078 0.3750 0.038 Uiso 1 1 calc R
C25 C 0.1061(2) 0.1738(2) 0.34837(14) 0.0338(5) Uani 1 1 d .
H25A H 0.0224 0.1716 0.3282 0.041 Uiso 1 1 calc R
C26 C 0.1752(2) 0.27537(18) 0.34874(13) 0.0251(4) Uani 1 1 d .
H26A H 0.1386 0.3415 0.3288 0.030 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'
S S 0.1246 0.1234 '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
Cnt1 Ce1 S1 102.5 . .
Cnt1 Ce1 S1 120.5 2_665 .
Cnt1 Ce1 Cnt1 129.7 2_665 .
Cnt2 Ce2 S1 115.6 . .
Cnt2 Ce2 S1 106.5 2_665 .
Cnt2 Ce2 Cnt2 130.1 2_665 .
C1 Ce1 C1 139.07(12) 2_665 .
C1 Ce1 C4 48.64(6) 2_665 2_665
C1 Ce1 C4 102.30(7) . 2_665
C1 Ce1 C4 102.30(7) 2_665 .
C1 Ce1 C4 48.64(6) . .
C4 Ce1 C4 100.40(9) 2_665 .
C1 Ce1 C3 122.47(6) 2_665 .
C1 Ce1 C3 48.45(5) . .
C4 Ce1 C3 129.70(6) 2_665 .
C4 Ce1 C3 29.54(6) . .
C1 Ce1 C3 48.45(5) 2_665 2_665
C1 Ce1 C3 122.47(6) . 2_665
C4 Ce1 C3 29.53(6) 2_665 2_665
C4 Ce1 C3 129.70(6) . 2_665
C3 Ce1 C3 159.18(8) . 2_665
C1 Ce1 C2 29.30(6) 2_665 2_665
C1 Ce1 C2 150.20(6) . 2_665
C4 Ce1 C2 48.43(6) 2_665 2_665
C4 Ce1 C2 130.97(6) . 2_665
C3 Ce1 C2 150.54(6) . 2_665
C3 Ce1 C2 29.20(6) 2_665 2_665
C1 Ce1 C2 150.20(6) 2_665 .
C1 Ce1 C2 29.30(6) . .
C4 Ce1 C2 130.98(6) 2_665 .
C4 Ce1 C2 48.43(6) . .
C3 Ce1 C2 29.20(6) . .
C3 Ce1 C2 150.54(6) 2_665 .
C2 Ce1 C2 179.30(9) 2_665 .
C1 Ce1 C5 110.58(7) 2_665 .
C1 Ce1 C5 29.45(7) . .
C4 Ce1 C5 85.50(6) 2_665 .
C4 Ce1 C5 29.28(6) . .
C3 Ce1 C5 48.30(6) . .
C3 Ce1 C5 113.38(6) 2_665 .
C2 Ce1 C5 131.11(6) 2_665 .
C2 Ce1 C5 48.20(6) . .
C1 Ce1 C5 29.45(7) 2_665 2_665
C1 Ce1 C5 110.58(7) . 2_665
C4 Ce1 C5 29.28(6) 2_665 2_665
C4 Ce1 C5 85.49(6) . 2_665
C3 Ce1 C5 113.38(6) . 2_665
C3 Ce1 C5 48.30(6) 2_665 2_665
C2 Ce1 C5 48.20(6) 2_665 2_665
C2 Ce1 C5 131.10(6) . 2_665
C5 Ce1 C5 84.09(9) . 2_665
C1 Ce1 S1 130.35(5) 2_665 .
C1 Ce1 S1 86.99(6) . .
C4 Ce1 S1 119.54(4) 2_665 .
C4 Ce1 S1 126.59(4) . .
C3 Ce1 S1 100.98(4) . .
C3 Ce1 S1 96.72(4) 2_665 .
C2 Ce1 S1 102.40(4) 2_665 .
C2 Ce1 S1 78.21(4) . .
C5 Ce1 S1 116.37(4) . .
C5 Ce1 S1 145.02(5) 2_665 .
C1 Ce1 S1 86.99(6) 2_665 2_665
C1 Ce1 S1 130.35(5) . 2_665
C4 Ce1 S1 126.59(4) 2_665 2_665
C4 Ce1 S1 119.54(4) . 2_665
C3 Ce1 S1 96.72(4) . 2_665
C3 Ce1 S1 100.98(4) 2_665 2_665
C2 Ce1 S1 78.21(4) 2_665 2_665
C2 Ce1 S1 102.40(4) . 2_665
C5 Ce1 S1 145.02(5) . 2_665
C5 Ce1 S1 116.38(4) 2_665 2_665
S1 Ce1 S1 63.41(2) . 2_665
C14 Ce2 C14 138.38(9) 2_665 .
C14 Ce2 C12 48.35(6) 2_665 2_665
C14 Ce2 C12 122.93(6) . 2_665
C14 Ce2 C12 122.94(6) 2_665 .
C14 Ce2 C12 48.35(6) . .
C12 Ce2 C12 160.41(9) 2_665 .
C14 Ce2 C11 102.49(6) 2_665 .
C14 Ce2 C11 48.39(6) . .
C12 Ce2 C11 131.02(6) 2_665 .
C12 Ce2 C11 29.45(6) . .
C14 Ce2 C11 48.39(6) 2_665 2_665
C14 Ce2 C11 102.49(6) . 2_665
C12 Ce2 C11 29.46(6) 2_665 2_665
C12 Ce2 C11 131.02(6) . 2_665
C11 Ce2 C11 101.86(9) . 2_665
C14 Ce2 C13 150.33(6) 2_665 .
C14 Ce2 C13 29.34(6) . .
C12 Ce2 C13 150.74(6) 2_665 .
C12 Ce2 C13 29.10(6) . .
C11 Ce2 C13 48.23(6) . .
C11 Ce2 C13 131.38(6) 2_665 .
C14 Ce2 C13 29.34(6) 2_665 2_665
C14 Ce2 C13 150.33(6) . 2_665
C12 Ce2 C13 29.10(6) 2_665 2_665
C12 Ce2 C13 150.74(6) . 2_665
C11 Ce2 C13 131.38(6) . 2_665
C11 Ce2 C13 48.23(6) 2_665 2_665
C13 Ce2 C13 179.54(8) . 2_665
C14 Ce2 C15 29.40(6) 2_665 2_665
C14 Ce2 C15 110.03(6) . 2_665
C12 Ce2 C15 48.42(6) 2_665 2_665
C12 Ce2 C15 114.24(6) . 2_665
C11 Ce2 C15 86.24(6) . 2_665
C11 Ce2 C15 29.29(6) 2_665 2_665
C13 Ce2 C15 131.24(6) . 2_665
C13 Ce2 C15 48.31(6) 2_665 2_665
C14 Ce2 C15 110.04(6) 2_665 .
C14 Ce2 C15 29.40(6) . .
C12 Ce2 C15 114.24(6) 2_665 .
C12 Ce2 C15 48.42(6) . .
C11 Ce2 C15 29.29(6) . .
C11 Ce2 C15 86.24(6) 2_665 .
C13 Ce2 C15 48.31(6) . .
C13 Ce2 C15 131.24(6) 2_665 .
C15 Ce2 C15 83.86(8) 2_665 .
C14 Ce2 S1 126.45(5) 2_665 2_665
C14 Ce2 S1 90.53(4) . 2_665
C12 Ce2 S1 91.72(4) 2_665 2_665
C12 Ce2 S1 105.01(4) . 2_665
C11 Ce2 S1 130.59(4) . 2_665
C11 Ce2 S1 114.81(4) 2_665 2_665
C13 Ce2 S1 82.38(4) . 2_665
C13 Ce2 S1 98.01(4) 2_665 2_665
C15 Ce2 S1 140.14(4) 2_665 2_665
C15 Ce2 S1 119.72(4) . 2_665
C14 Ce2 S1 90.53(4) 2_665 .
C14 Ce2 S1 126.45(5) . .
C12 Ce2 S1 105.01(4) 2_665 .
C12 Ce2 S1 91.72(4) . .
C11 Ce2 S1 114.81(4) . .
C11 Ce2 S1 130.59(4) 2_665 .
C13 Ce2 S1 98.01(4) . .
C13 Ce2 S1 82.38(4) 2_665 .
C15 Ce2 S1 119.72(4) 2_665 .
C15 Ce2 S1 140.14(4) . .
S1 Ce2 S1 63.77(2) 2_665 .
C21 S1 Ce2 121.46(8) . .
C21 S1 Ce1 120.16(8) . .
Ce2 S1 Ce1 116.406(13) . .
C2 C1 C5 107.89(18) . .
C2 C1 C6 126.0(2) . .
C5 C1 C6 125.9(2) . .
C2 C1 Ce1 76.20(13) . .
C5 C1 Ce1 76.23(13) . .
C6 C1 Ce1 117.70(14) . .
C3 C2 C1 108.26(19) . .
C3 C2 C7 125.18(18) . .
C1 C2 C7 126.1(2) . .
C3 C2 Ce1 75.09(11) . .
C1 C2 Ce1 74.50(13) . .
C7 C2 Ce1 122.89(13) . .
C2 C3 C4 108.01(18) . .
C2 C3 C8 125.26(18) . .
C4 C3 C8 126.15(18) . .
C2 C3 Ce1 75.71(11) . .
C4 C3 Ce1 74.99(10) . .
C8 C3 Ce1 122.22(13) . .
C5 C4 C3 107.71(18) . .
C5 C4 C9 127.07(19) . .
C3 C4 C9 124.44(19) . .
C5 C4 Ce1 76.02(11) . .
C3 C4 Ce1 75.47(11) . .
C9 C4 Ce1 122.47(13) . .
C4 C5 C1 108.06(18) . .
C4 C5 C10 126.8(2) . .
C1 C5 C10 123.9(2) . .
C4 C5 Ce1 74.70(11) . .
C1 C5 Ce1 74.32(13) . .
C10 C5 Ce1 126.98(14) . .
C15 C11 C12 107.99(18) . .
C15 C11 C16 126.77(19) . .
C12 C11 C16 124.7(2) . .
C15 C11 Ce2 75.81(11) . .
C12 C11 Ce2 74.98(11) . .
C16 C11 Ce2 122.11(14) . .
C13 C12 C11 108.17(18) . .
C13 C12 C17 126.87(19) . .
C11 C12 C17 124.64(18) . .
C13 C12 Ce2 75.99(11) . .
C11 C12 Ce2 75.57(11) . .
C17 C12 Ce2 119.77(13) . .
C12 C13 C14 108.04(18) . .
C12 C13 C18 125.99(19) . .
C14 C13 C18 125.57(19) . .
C12 C13 Ce2 74.91(11) . .
C14 C13 Ce2 74.46(11) . .
C18 C13 Ce2 122.34(13) . .
C13 C14 C15 108.32(18) . .
C13 C14 C19 125.07(19) . .
C15 C14 C19 126.18(19) . .
C13 C14 Ce2 76.20(11) . .
C15 C14 Ce2 76.39(11) . .
C19 C14 Ce2 119.67(14) . .
C11 C15 C14 107.43(18) . .
C11 C15 C20 126.19(19) . .
C14 C15 C20 125.50(19) . .
C11 C15 Ce2 74.89(11) . .
C14 C15 Ce2 74.22(11) . .
C20 C15 Ce2 125.04(13) . .
C26 C21 C22 118.21(16) . .
C26 C21 S1 121.22(14) . .
C22 C21 S1 120.57(15) . .
C23 C22 C21 121.12(19) . .
C24 C23 C22 120.2(2) . .
C25 C24 C23 119.19(19) . .
C24 C25 C26 121.1(2) . .
C21 C26 C25 120.16(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 Cnt1 2.530 .
Ce2 Cnt2 2.530 .
Ce1 C1 2.790(3) 2_665
Ce1 C1 2.790(3) .
Ce1 C4 2.7980(19) 2_665
Ce1 C4 2.7980(19) .
Ce1 C3 2.8041(18) .
Ce1 C3 2.8041(18) 2_665
Ce1 C2 2.8119(19) 2_665
Ce1 C2 2.8120(19) .
Ce1 C5 2.815(2) .
Ce1 C5 2.815(2) 2_665
Ce1 S1 2.9975(8) .
Ce1 S1 2.9975(8) 2_665
Ce2 C14 2.7886(19) 2_665
Ce2 C14 2.7886(19) .
Ce2 C12 2.7971(19) 2_665
Ce2 C12 2.7971(19) .
Ce2 C11 2.805(2) .
Ce2 C11 2.805(2) 2_665
Ce2 C13 2.8109(19) .
Ce2 C13 2.8109(19) 2_665
Ce2 C15 2.8165(19) 2_665
Ce2 C15 2.8165(19) .
Ce2 S1 2.9824(8) 2_665
Ce2 S1 2.9824(8) .
S1 C21 1.7780(16) .
C1 C2 1.417(3) .
C1 C5 1.425(3) .
C1 C6 1.509(3) .
C2 C3 1.416(3) .
C2 C7 1.504(3) .
C3 C4 1.428(3) .
C3 C8 1.504(3) .
C4 C5 1.419(3) .
C4 C9 1.509(3) .
C5 C10 1.512(3) .
C11 C15 1.421(3) .
C11 C12 1.424(3) .
C11 C16 1.508(3) .
C12 C13 1.409(3) .
C12 C17 1.511(3) .
C13 C14 1.418(3) .
C13 C18 1.500(3) .
C14 C15 1.422(3) .
C14 C19 1.508(3) .
C15 C20 1.509(3) .
C21 C26 1.392(3) .
C21 C22 1.393(3) .
C22 C23 1.387(3) .
C23 C24 1.384(3) .
C24 C25 1.373(3) .
C25 C26 1.395(3) .
