#------------------------------------------------------------------------------
#$Date: 2017-10-14 04:48:43 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202009 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/07/7120774.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_7120774
loop_
_publ_author_name
'Friedrich, Jochen'
'Maichle-moessmer, Caecilia'
'Anwander, Reiner'
_publ_section_title
;
 Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06499C
_journal_year                    2017
_chemical_formula_sum            'C72 H162 Ce2 O24 Si6'
_chemical_formula_weight         1860.79
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-08 deposited with the CCDC.
2017-10-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.351(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.0279(10)
_cell_length_b                   14.1706(5)
_cell_length_c                   27.3540(10)
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.78
_cell_measurement_theta_min      2.769
_cell_volume                     10006.1(6)
_computing_cell_refinement       'APEX2 v2014.1-1 (Bruker AXS)'
_computing_data_collection       'COSMO v1.61'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            92996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         1.501
_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.030
_exptl_absorpt_correction_T_max  0.8630
_exptl_absorpt_correction_T_min  0.8000
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_description       needle
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.204
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.112
_refine_diff_density_min         -1.329
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     600
_refine_ls_number_reflns         11012
_refine_ls_number_restraints     724
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0453
_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)+79.5989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0895
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8372
_reflns_number_total             11012
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc06499c2.cif
_cod_data_source_block           1_mo_jfr102b_07
_cod_database_code               7120774
_shelx_shelxl_version_number     2014/7
_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   0.817
_shelx_estimated_absorpt_t_max   0.922
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
C1 C 0.1317(2) 0.8523(3) 0.76452(17) 0.0366(11) Uani 1 1 d . U . . .
C2 C 0.0899(2) 0.7972(5) 0.7856(2) 0.0607(16) Uani 1 1 d . U . . .
H2A H 0.1053 0.7623 0.8148 0.091 Uiso 1 1 calc R U . . .
H2B H 0.0738 0.7528 0.7608 0.091 Uiso 1 1 calc R U . . .
H2C H 0.0636 0.8410 0.7949 0.091 Uiso 1 1 calc R U . . .
C3 C 0.1786(11) 0.801(2) 0.7514(12) 0.048(3) Uani 0.42(3) 1 d . U P A 1
H3A H 0.1976 0.8423 0.7311 0.071 Uiso 0.42(3) 1 calc R U P A 1
H3B H 0.1677 0.7439 0.7328 0.071 Uiso 0.42(3) 1 calc R U P A 1
H3C H 0.2011 0.7840 0.7815 0.071 Uiso 0.42(3) 1 calc R U P A 1
C4 C 0.0988(11) 0.8897(19) 0.7189(8) 0.051(3) Uani 0.42(3) 1 d . U P A 1
H4A H 0.0686 0.9228 0.7286 0.077 Uiso 0.42(3) 1 calc R U P A 1
H4B H 0.0871 0.8370 0.6971 0.077 Uiso 0.42(3) 1 calc R U P A 1
H4C H 0.1193 0.9335 0.7016 0.077 Uiso 0.42(3) 1 calc R U P A 1
C3A C 0.1756(8) 0.7813(15) 0.7642(8) 0.048(3) Uani 0.58(3) 1 d . U P A 2
H3A1 H 0.2051 0.8117 0.7518 0.071 Uiso 0.58(3) 1 calc R U P A 2
H3A2 H 0.1637 0.7280 0.7428 0.071 Uiso 0.58(3) 1 calc R U P A 2
H3A3 H 0.1861 0.7584 0.7978 0.071 Uiso 0.58(3) 1 calc R U P A 2
C4A C 0.1191(9) 0.8981(13) 0.7131(5) 0.051(3) Uani 0.58(3) 1 d . U P A 2
H4A1 H 0.0923 0.9464 0.7143 0.077 Uiso 0.58(3) 1 calc R U P A 2
H4A2 H 0.1065 0.8497 0.6889 0.077 Uiso 0.58(3) 1 calc R U P A 2
H4A3 H 0.1504 0.9274 0.7036 0.077 Uiso 0.58(3) 1 calc R U P A 2
C5 C 0.22907(19) 1.0865(3) 0.84637(17) 0.0324(10) Uani 1 1 d . U . . .
C6 C 0.2708(2) 1.0121(3) 0.8469(2) 0.0449(13) Uani 1 1 d . U . . .
H6A H 0.2789 0.9865 0.8802 0.067 Uiso 1 1 calc R U . . .
H6B H 0.3021 1.0404 0.8365 0.067 Uiso 1 1 calc R U . . .
H6C H 0.2586 0.9611 0.8241 0.067 Uiso 1 1 calc R U . . .
C7 C 0.2134(2) 1.1238(4) 0.79436(18) 0.0482(14) Uani 1 1 d . U . . .
H7A H 0.2016 1.0712 0.7725 0.072 Uiso 1 1 calc R U . . .
H7B H 0.2432 1.1544 0.7825 0.072 Uiso 1 1 calc R U . . .
H7C H 0.1853 1.1697 0.7947 0.072 Uiso 1 1 calc R U . . .
C8 C 0.2470(2) 1.1670(3) 0.88120(18) 0.0377(11) Uani 1 1 d . U . . .
H8A H 0.2190 1.2133 0.8811 0.057 Uiso 1 1 calc R U . . .
H8B H 0.2773 1.1974 0.8703 0.057 Uiso 1 1 calc R U . . .
H8C H 0.2560 1.1422 0.9146 0.057 Uiso 1 1 calc R U . . .
C9 C 0.05934(19) 1.0438(4) 0.85977(19) 0.0405(12) Uani 1 1 d . U . . .
C11 C 0.0726(2) 1.1238(4) 0.8952(2) 0.0546(15) Uani 1 1 d . U . . .
H11A H 0.0731 1.1009 0.9291 0.082 Uiso 1 1 calc R U . . .
H11B H 0.0466 1.1738 0.8889 0.082 Uiso 1 1 calc R U . . .
H11C H 0.1068 1.1490 0.8909 0.082 Uiso 1 1 calc R U . . .
C10 C 0.0074(9) 0.9987(19) 0.8407(15) 0.054(6) Uani 0.245(18) 1 d . U P B 1
H10A H 0.0117 0.9566 0.8131 0.081 Uiso 0.245(18) 1 calc R U P B 1
H10B H -0.0177 1.0482 0.8295 0.081 Uiso 0.245(18) 1 calc R U P B 1
H10C H -0.0053 0.9624 0.8672 0.081 Uiso 0.245(18) 1 calc R U P B 1
C12 C 0.0746(12) 1.101(2) 0.8095(11) 0.043(5) Uani 0.245(18) 1 d . U P B 1
H12A H 0.1095 1.1281 0.8167 0.065 Uiso 0.245(18) 1 calc R U P B 1
H12B H 0.0496 1.1520 0.8008 0.065 Uiso 0.245(18) 1 calc R U P B 1
H12C H 0.0737 1.0569 0.7819 0.065 Uiso 0.245(18) 1 calc R U P B 1
C10A C 0.0070(3) 1.0031(6) 0.8740(5) 0.054(3) Uani 0.755(18) 1 d . U P B 2
H10D H -0.0010 0.9434 0.8567 0.080 Uiso 0.755(18) 1 calc R U P B 2
H10E H -0.0210 1.0484 0.8646 0.080 Uiso 0.755(18) 1 calc R U P B 2
H10F H 0.0104 0.9923 0.9097 0.080 Uiso 0.755(18) 1 calc R U P B 2
C12A C 0.0543(5) 1.0697(9) 0.8072(3) 0.062(3) Uani 0.755(18) 1 d . U P B 2
H12D H 0.0881 1.0896 0.7986 0.093 Uiso 0.755(18) 1 calc R U P B 2
H12E H 0.0295 1.1216 0.8009 0.093 Uiso 0.755(18) 1 calc R U P B 2
H12F H 0.0419 1.0150 0.7870 0.093 Uiso 0.755(18) 1 calc R U P B 2
C13 C 0.16253(18) 1.0224(3) 1.04348(16) 0.0306(10) Uani 1 1 d . U . . .
C14 C 0.1140(2) 1.0794(4) 1.0479(2) 0.0478(14) Uani 1 1 d . U . . .
H14A H 0.0842 1.0486 1.0289 0.072 Uiso 1 1 calc R U . . .
H14B H 0.1180 1.1431 1.0350 0.072 Uiso 1 1 calc R U . . .
H14C H 0.1085 1.0832 1.0826 0.072 Uiso 1 1 calc R U . . .
C15 C 0.2081(2) 1.0644(4) 1.07577(18) 0.0411(12) Uani 1 1 d . U . . .
H15A H 0.2005 1.0671 1.1099 0.062 Uiso 1 1 calc R U . . .
H15B H 0.2147 1.1283 1.0643 0.062 Uiso 1 1 calc R U . . .
H15C H 0.2388 1.0251 1.0741 0.062 Uiso 1 1 calc R U . . .
C16 C 0.1725(2) 1.0152(3) 0.98985(17) 0.0368(11) Uani 1 1 d . U . . .
H16A H 0.2033 0.9762 0.9878 0.055 Uiso 1 1 calc R U . . .
H16B H 0.1782 1.0784 0.9771 0.055 Uiso 1 1 calc R U . . .
H16C H 0.1425 0.9862 0.9702 0.055 Uiso 1 1 calc R U . . .
C17 C 0.14664(17) 0.7635(4) 1.14352(15) 0.0367(11) Uani 1 1 d D U . . .
C18 C 0.2036(2) 0.7636(5) 1.1624(2) 0.0586(16) Uani 1 1 d . U . . .
H18A H 0.2182 0.8259 1.1569 0.088 Uiso 0.752(9) 1 calc R U P C 1
H18B H 0.2212 0.7157 1.1448 0.088 Uiso 0.752(9) 1 calc R U P C 1
H18C H 0.2084 0.7493 1.1977 0.088 Uiso 0.752(9) 1 calc R U P C 1
H18D H 0.2211 0.8120 1.1450 0.088 Uiso 0.248(9) 1 calc R U P C 2
H18E H 0.2183 0.7016 1.1566 0.088 Uiso 0.248(9) 1 calc R U P C 2
H18F H 0.2083 0.7773 1.1978 0.088 Uiso 0.248(9) 1 calc R U P C 2
C19 C 0.1161(4) 0.8398(7) 1.1596(4) 0.056(2) Uani 0.752(9) 1 d . U P C 1
H19A H 0.1316 0.9003 1.1520 0.084 Uiso 0.752(9) 1 calc R U P C 1
H19B H 0.1153 0.8350 1.1952 0.084 Uiso 0.752(9) 1 calc R U P C 1
H19C H 0.0807 0.8360 1.1424 0.084 Uiso 0.752(9) 1 calc R U P C 1
C20 C 0.1275(3) 0.6644(6) 1.1594(2) 0.0467(17) Uani 0.752(9) 1 d . U P C 1
H20A H 0.0912 0.6554 1.1456 0.070 Uiso 0.752(9) 1 calc R U P C 1
H20B H 0.1305 0.6611 1.1955 0.070 Uiso 0.752(9) 1 calc R U P C 1
H20C H 0.1487 0.6148 1.1471 0.070 Uiso 0.752(9) 1 calc R U P C 1
C19A C 0.1348(13) 0.8675(11) 1.1591(13) 0.056(2) Uani 0.248(9) 1 d D U P C 2
H19D H 0.1640 0.9084 1.1540 0.084 Uiso 0.248(9) 1 calc R U P C 2
H19E H 0.1297 0.8686 1.1939 0.084 Uiso 0.248(9) 1 calc R U P C 2
H19F H 0.1034 0.8902 1.1389 0.084 Uiso 0.248(9) 1 calc R U P C 2
C20A C 0.0950(8) 0.7204(18) 1.1548(7) 0.0467(17) Uani 0.248(9) 1 d . U P C 2
H20D H 0.0661 0.7588 1.1393 0.070 Uiso 0.248(9) 1 calc R U P C 2
H20E H 0.0944 0.7189 1.1905 0.070 Uiso 0.248(9) 1 calc R U P C 2
H20F H 0.0918 0.6560 1.1417 0.070 Uiso 0.248(9) 1 calc R U P C 2
C21 C 0.06772(14) 0.7758(3) 0.98685(15) 0.0256(10) Uani 1 1 d . U . . .
C22 C 0.04054(17) 0.8541(4) 1.01184(18) 0.0405(13) Uani 1 1 d . U . . .
H22A H 0.0525 0.8538 1.0473 0.061 Uiso 1 1 calc R U . . .
H22B H 0.0030 0.8437 1.0064 0.061 Uiso 1 1 calc R U . . .
H22C H 0.0486 0.9152 0.9979 0.061 Uiso 1 1 calc R U . . .
C23 C 0.05583(17) 0.6786(4) 1.00673(17) 0.0354(11) Uani 1 1 d . U . . .
H23A H 0.0740 0.6301 0.9900 0.053 Uiso 1 1 calc R U . . .
H23B H 0.0184 0.6670 1.0007 0.053 Uiso 1 1 calc R U . . .
H23C H 0.0674 0.6762 1.0422 0.053 Uiso 1 1 calc R U . . .
C24 C 0.05413(16) 0.7796(3) 0.93143(15) 0.0289(10) Uani 1 1 d . U . . .
H24A H 0.0656 0.8401 0.9191 0.043 Uiso 1 1 calc R U . . .
H24B H 0.0165 0.7735 0.9229 0.043 Uiso 1 1 calc R U . . .
H24C H 0.0715 0.7279 0.9163 0.043 Uiso 1 1 calc R U . . .
O10 O 0.0683(2) 0.5598(5) 0.8704(3) 0.0268(10) Uani 0.463(5) 1 d . U P D 1
C25 C 0.0187(8) 0.5113(17) 0.8628(9) 0.046(3) Uani 0.463(5) 1 d . U P D 1
C26 C -0.0300(4) 0.5483(13) 0.9002(6) 0.042(3) Uani 0.463(5) 1 d . U P D 1
H26A H -0.0296 0.5059 0.9286 0.064 Uiso 0.463(5) 1 calc R U P D 1
H26B H -0.0642 0.5462 0.8805 0.064 Uiso 0.463(5) 1 calc R U P D 1
H26C H -0.0227 0.6129 0.9118 0.064 Uiso 0.463(5) 1 calc R U P D 1
C27 C 0.0111(6) 0.4393(12) 0.8444(8) 0.050(4) Uani 0.463(5) 1 d . U P D 1
H27A H 0.0325 0.4325 0.8176 0.075 Uiso 0.463(5) 1 calc R U P D 1
H27B H -0.0256 0.4345 0.8310 0.075 Uiso 0.463(5) 1 calc R U P D 1
H27C H 0.0198 0.3892 0.8688 0.075 Uiso 0.463(5) 1 calc R U P D 1
C28 C 0.0077(9) 0.6109(16) 0.8265(8) 0.070(3) Uani 0.463(5) 1 d . U P D 1
H28A H 0.0141 0.6674 0.8470 0.105 Uiso 0.463(5) 1 calc R U P D 1
H28B H -0.0283 0.6109 0.8107 0.105 Uiso 0.463(5) 1 calc R U P D 1
H28C H 0.0311 0.6107 0.8011 0.105 Uiso 0.463(5) 1 calc R U P D 1
O10A O 0.0613(2) 0.5536(4) 0.8996(2) 0.0268(10) Uani 0.537(5) 1 d . U P D 2
C25A C 0.0133(7) 0.5364(12) 0.8673(8) 0.044(3) Uani 0.537(5) 1 d . U P D 2
C26A C -0.0109(5) 0.5250(11) 0.9064(5) 0.054(3) Uani 0.537(5) 1 d . U P D 2
H26D H 0.0109 0.4877 0.9311 0.081 Uiso 0.537(5) 1 calc R U P D 2
H26E H -0.0437 0.4920 0.8968 0.081 Uiso 0.537(5) 1 calc R U P D 2
H26F H -0.0177 0.5869 0.9202 0.081 Uiso 0.537(5) 1 calc R U P D 2
C27A C 0.0252(6) 0.4097(12) 0.8537(7) 0.070(4) Uani 0.537(5) 1 d . U P D 2
H27D H 0.0374 0.3765 0.8845 0.105 Uiso 0.537(5) 1 calc R U P D 2
H27E H 0.0516 0.4053 0.8313 0.105 Uiso 0.537(5) 1 calc R U P D 2
H27F H -0.0070 0.3807 0.8382 0.105 Uiso 0.537(5) 1 calc R U P D 2
C28A C -0.0053(7) 0.5805(14) 0.8204(7) 0.070(3) Uani 0.537(5) 1 d . U P D 2
H28D H -0.0312 0.5396 0.8019 0.105 Uiso 0.537(5) 1 calc R U P D 2
H28E H 0.0238 0.5899 0.8015 0.105 Uiso 0.537(5) 1 calc R U P D 2
H28F H -0.0210 0.6416 0.8263 0.105 Uiso 0.537(5) 1 calc R U P D 2
C29 C 0.1412(2) 0.4079(4) 0.9749(2) 0.0523(14) Uani 1 1 d . U . . .
C30 C 0.1734(2) 0.3211(4) 0.9713(2) 0.0588(16) Uani 1 1 d . U . . .
H30A H 0.1548 0.2770 0.9477 0.088 Uiso 1 1 calc R U . . .
H30B H 0.1800 0.2910 1.0038 0.088 Uiso 1 1 calc R U . . .
H30C H 0.2064 0.3385 0.9602 0.088 Uiso 1 1 calc R U . . .
C31 C 0.1687(3) 0.4795(5) 1.0073(2) 0.0683(17) Uani 1 1 d . U . . .
H31A H 0.2009 0.4973 0.9945 0.102 Uiso 1 1 calc R U . . .
H31B H 0.1770 0.4535 1.0406 0.102 Uiso 1 1 calc R U . . .
H31C H 0.1467 0.5353 1.0085 0.102 Uiso 1 1 calc R U . . .
C33 C 0.1631(2) 0.4772(4) 0.8073(2) 0.0504(14) Uani 1 1 d . U . . .
C34 C 0.1287(3) 0.5026(6) 0.7610(3) 0.087(2) Uani 1 1 d . U . . .
H34A H 0.1484 0.4980 0.7328 0.131 Uiso 1 1 calc R U . . .
H34B H 0.1161 0.5674 0.7636 0.131 Uiso 1 1 calc R U . . .
H34C H 0.0992 0.4592 0.7563 0.131 Uiso 1 1 calc R U . . .
C35 C 0.2101(2) 0.5404(5) 0.8143(2) 0.0576(16) Uani 1 1 d . U . . .
H35A H 0.2324 0.5221 0.8444 0.086 Uiso 1 1 calc R U . . .
H35B H 0.1991 0.6061 0.8172 0.086 Uiso 1 1 calc R U . . .
H35C H 0.2294 0.5341 0.7860 0.086 Uiso 1 1 calc R U . . .
Ce1 Ce 0.19424(2) 0.74903(2) 0.94254(2) 0.01206(5) Uani 1 1 d . U . . .
C36 C 0.1666(5) 0.3756(8) 0.8123(4) 0.055(3) Uani 0.551(7) 1 d . U P E 1
H36A H 0.1818 0.3596 0.8459 0.082 Uiso 0.551(7) 1 calc R U P E 1
H36B H 0.1885 0.3505 0.7888 0.082 Uiso 0.551(7) 1 calc R U P E 1
H36C H 0.1318 0.3481 0.8057 0.082 Uiso 0.551(7) 1 calc R U P E 1
O12 O 0.1220(2) 0.5163(4) 0.83459(19) 0.0255(15) Uani 0.551(7) 1 d . U P D 1
O12A O 0.1526(2) 0.4570(4) 0.8601(2) 0.0220(17) Uani 0.449(7) 1 d . U P D 2
C36A C 0.1917(6) 0.3795(10) 0.7981(5) 0.049(3) Uani 0.449(7) 1 d . U P E 2
H36D H 0.2148 0.3621 0.8279 0.073 Uiso 0.449(7) 1 calc R U P E 2
H36E H 0.2120 0.3869 0.7705 0.073 Uiso 0.449(7) 1 calc R U P E 2
H36F H 0.1658 0.3298 0.7903 0.073 Uiso 0.449(7) 1 calc R U P E 2
O11 O 0.1407(2) 0.4313(4) 0.92024(19) 0.0267(9) Uani 0.573(4) 1 d . U P D 1
C32 C 0.0842(4) 0.3728(7) 0.9780(4) 0.0514(19) Uani 0.573(4) 1 d . U P D 1
H32A H 0.0825 0.3434 1.0101 0.077 Uiso 0.573(4) 1 calc R U P D 1
H32B H 0.0743 0.3267 0.9518 0.077 Uiso 0.573(4) 1 calc R U P D 1
H32C H 0.0604 0.4267 0.9739 0.077 Uiso 0.573(4) 1 calc R U P D 1
O11A O 0.1127(3) 0.4639(5) 0.9425(2) 0.0267(9) Uani 0.427(4) 1 d . U P D 2
C32A C 0.1084(5) 0.3890(10) 1.0198(5) 0.0514(19) Uani 0.427(4) 1 d . U P D 2
H32D H 0.0987 0.4495 1.0333 0.077 Uiso 0.427(4) 1 calc R U P D 2
H32E H 0.1295 0.3528 1.0455 0.077 Uiso 0.427(4) 1 calc R U P D 2
H32F H 0.0771 0.3532 1.0078 0.077 Uiso 0.427(4) 1 calc R U P D 2
O1 O 0.17835(10) 0.86148(18) 0.88713(9) 0.0181(6) Uani 1 1 d . U . . .
O2 O 0.15015(13) 0.9295(2) 0.79563(10) 0.0307(7) Uani 1 1 d . U . . .
O3 O 0.18436(11) 1.04737(19) 0.86497(10) 0.0238(6) Uani 1 1 d . U . . .
O4 O 0.09603(11) 0.9679(2) 0.87116(11) 0.0288(7) Uani 1 1 d . U . . .
O5 O 0.21741(9) 0.79457(18) 1.03215(9) 0.0147(5) Uani 1 1 d . U . . .
O6 O 0.15367(11) 0.9299(2) 1.06299(10) 0.0242(6) Uani 1 1 d . U . . .
O7 O 0.14231(10) 0.7568(2) 1.09052(9) 0.0269(6) Uani 1 1 d . U . . .
O8 O 0.12469(9) 0.79029(19) 0.99612(9) 0.0177(6) Uani 1 1 d . U . . .
O9 O 0.15731(10) 0.61900(19) 0.91288(10) 0.0218(6) Uani 1 1 d . U . . .
Si1 Si 0.15328(4) 0.94811(8) 0.85485(4) 0.0205(2) Uani 1 1 d . U . . .
Si2 Si 0.16141(4) 0.82135(8) 1.04783(4) 0.0168(2) Uani 1 1 d . U . . .
Si3 Si 0.12292(4) 0.52969(8) 0.89438(4) 0.0194(2) 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'
O O 0.0106 0.0060 '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
O2 C1 C3 106.9(14) . .
O2 C1 C2 111.7(4) . .
C3 C1 C2 119.3(13) . .
O2 C1 C4 109.4(11) . .
C3 C1 C4 111.3(14) . .
C2 C1 C4 97.8(13) . .
O2 C1 C3A 108.3(10) . .
C2 C1 C3A 103.8(10) . .
O2 C1 C4A 103.6(8) . .
C2 C1 C4A 119.0(10) . .
C3A C1 C4A 110.2(9) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C1 C3A H3A1 109.5 . .
C1 C3A H3A2 109.5 . .
H3A1 C3A H3A2 109.5 . .
C1 C3A H3A3 109.5 . .
H3A1 C3A H3A3 109.5 . .
H3A2 C3A H3A3 109.5 . .
C1 C4A H4A1 109.5 . .
C1 C4A H4A2 109.5 . .
H4A1 C4A H4A2 109.5 . .
C1 C4A H4A3 109.5 . .
H4A1 C4A H4A3 109.5 . .
H4A2 C4A H4A3 109.5 . .
O3 C5 C6 109.9(4) . .
O3 C5 C8 105.3(3) . .
C6 C5 C8 110.8(4) . .
O3 C5 C7 109.3(4) . .
C6 C5 C7 110.9(4) . .
C8 C5 C7 110.5(4) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O4 C9 C12A 111.7(5) . .
O4 C9 C11 109.3(4) . .
C12A C9 C11 115.2(7) . .
O4 C9 C10 107.2(10) . .
C11 C9 C10 131.1(13) . .
O4 C9 C10A 104.1(5) . .
C12A C9 C10A 111.2(6) . .
C11 C9 C10A 104.5(6) . .
O4 C9 C12 108.4(11) . .
C11 C9 C12 95.9(12) . .
C10 C9 C12 102.4(15) . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C9 C10A H10D 109.5 . .
C9 C10A H10E 109.5 . .
H10D C10A H10E 109.5 . .
C9 C10A H10F 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C9 C12A H12D 109.5 . .
C9 C12A H12E 109.5 . .
H12D C12A H12E 109.5 . .
C9 C12A H12F 109.5 . .
H12D C12A H12F 109.5 . .
H12E C12A H12F 109.5 . .
O6 C13 C15 107.0(4) . .
O6 C13 C14 106.2(4) . .
C15 C13 C14 110.2(4) . .
O6 C13 C16 110.4(4) . .
C15 C13 C16 111.8(4) . .
C14 C13 C16 111.0(4) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O7 C17 C19 112.3(5) . .
O7 C17 C18 106.9(4) . .
C19 C17 C18 116.8(6) . .
O7 C17 C20A 102.5(8) . .
C18 C17 C20A 140.9(9) . .
O7 C17 C20 103.5(4) . .
C19 C17 C20 112.3(5) . .
C18 C17 C20 103.9(5) . .
O7 C17 C19A 109.9(14) . .
C18 C17 C19A 97.2(14) . .
C20A C17 C19A 96.4(15) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C18 H18D 109.5 . .
C17 C18 H18E 109.5 . .
H18D C18 H18E 109.5 . .
C17 C18 H18F 109.5 . .
H18D C18 H18F 109.5 . .
H18E C18 H18F 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C17 C19A H19D 109.5 . .
C17 C19A H19E 109.5 . .
H19D C19A H19E 109.5 . .
C17 C19A H19F 109.5 . .
H19D C19A H19F 109.5 . .
H19E C19A H19F 109.5 . .
C17 C20A H20D 109.5 . .
C17 C20A H20E 109.5 . .
H20D C20A H20E 109.5 . .
C17 C20A H20F 109.5 . .
H20D C20A H20F 109.5 . .
H20E C20A H20F 109.5 . .
O8 C21 C24 105.4(3) . .
O8 C21 C22 109.4(3) . .
C24 C21 C22 111.1(4) . .
O8 C21 C23 107.9(3) . .
C24 C21 C23 110.9(4) . .
C22 C21 C23 111.7(4) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C25 O10 Si3 133.0(11) . .
C27 C25 O10 125.8(19) . .
C27 C25 C28 118(2) . .
O10 C25 C28 77.0(14) . .
C27 C25 C26 114(2) . .
O10 C25 C26 117.2(14) . .
C28 C25 C26 90.7(15) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C25A O10A Si3 132.5(8) . .
C26A C25A C28A 129.0(17) . .
C26A C25A O10A 89.4(13) . .
C28A C25A O10A 128.8(17) . .
C26A C25A C27A 98.8(16) . .
C28A C25A C27A 106.4(15) . .
O10A C25A C27A 97.5(10) . .
C25A C26A H26D 109.5 . .
C25A C26A H26E 109.5 . .
H26D C26A H26E 109.5 . .
C25A C26A H26F 109.5 . .
H26D C26A H26F 109.5 . .
H26E C26A H26F 109.5 . .
C25A C27A H27D 109.5 . .
C25A C27A H27E 109.5 . .
H27D C27A H27E 109.5 . .
C25A C27A H27F 109.5 . .
H27D C27A H27F 109.5 . .
H27E C27A H27F 109.5 . .
C25A C28A H28D 109.5 . .
C25A C28A H28E 109.5 . .
H28D C28A H28E 109.5 . .
C25A C28A H28F 109.5 . .
H28D C28A H28F 109.5 . .
H28E C28A H28F 109.5 . .
O11A C29 C31 100.2(5) . .
O11A C29 C30 135.2(6) . .
C31 C29 C30 111.8(5) . .
C31 C29 O11 112.5(5) . .
C30 C29 O11 92.8(4) . .
C31 C29 C32 125.0(6) . .
C30 C29 C32 106.4(6) . .
O11 C29 C32 103.3(6) . .
O11A C29 C32A 107.4(7) . .
C31 C29 C32A 85.4(7) . .
C30 C29 C32A 105.6(6) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C36 C33 O12 111.2(6) . .
C36 C33 C34 110.1(7) . .
O12 C33 C34 86.8(5) . .
C36 C33 C35 122.6(7) . .
O12 C33 C35 109.8(5) . .
C34 C33 C35 110.6(5) . .
C34 C33 O12A 133.0(6) . .
C35 C33 O12A 103.3(5) . .
C34 C33 C36A 108.3(7) . .
C35 C33 C36A 98.5(7) . .
O12A C33 C36A 97.4(6) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O9 Ce1 O1 108.63(10) . .
O9 Ce1 O5 104.49(9) . 7_567
O1 Ce1 O5 118.31(9) . 7_567
O9 Ce1 O5 127.83(9) . .
O1 Ce1 O5 118.85(9) . .
O5 Ce1 O5 71.64(9) 7_567 .
O9 Ce1 O8 95.52(9) . .
O1 Ce1 O8 98.38(9) . .
O5 Ce1 O8 128.42(8) 7_567 .
O5 Ce1 O8 58.77(8) . .
O9 Ce1 Si2 116.03(7) . .
O1 Ce1 Si2 109.40(7) . .
O5 Ce1 Si2 100.11(6) 7_567 .
O5 Ce1 Si2 28.91(6) . .
O8 Ce1 Si2 29.99(6) . .
O9 Ce1 Ce1 122.58(7) . 7_567
O1 Ce1 Ce1 126.16(7) . 7_567
O5 Ce1 Ce1 36.96(6) 7_567 7_567
O5 Ce1 Ce1 34.68(5) . 7_567
O8 Ce1 Ce1 92.53(6) . 7_567
Si2 Ce1 Ce1 63.302(19) . 7_567
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C33 O12 Si3 128.5(4) . .
C33 O12A Si3 125.0(5) . .
C33 C36A H36D 109.5 . .
C33 C36A H36E 109.5 . .
H36D C36A H36E 109.5 . .
C33 C36A H36F 109.5 . .
H36D C36A H36F 109.5 . .
H36E C36A H36F 109.5 . .
C29 O11 Si3 125.8(4) . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C29 O11A Si3 136.3(5) . .
C29 C32A H32D 109.5 . .
C29 C32A H32E 109.5 . .
H32D C32A H32E 109.5 . .
C29 C32A H32F 109.5 . .
H32D C32A H32F 109.5 . .
H32E C32A H32F 109.5 . .
Si1 O1 Ce1 164.09(16) . .
C1 O2 Si1 133.2(3) . .
C5 O3 Si1 132.8(3) . .
C9 O4 Si1 132.1(3) . .
Si2 O5 Ce1 148.05(14) . 7_567
Si2 O5 Ce1 101.86(12) . .
Ce1 O5 Ce1 108.36(9) 7_567 .
C13 O6 Si2 137.7(3) . .
C17 O7 Si2 134.4(3) . .
C21 O8 Si2 129.4(2) . .
C21 O8 Ce1 129.7(2) . .
Si2 O8 Ce1 100.22(11) . .
Si3 O9 Ce1 171.54(17) . .
O1 Si1 O3 114.19(15) . .
O1 Si1 O2 112.84(15) . .
O3 Si1 O2 105.60(16) . .
O1 Si1 O4 107.63(15) . .
O3 Si1 O4 104.81(16) . .
O2 Si1 O4 111.55(17) . .
O7 Si2 O6 107.14(16) . .
O7 Si2 O5 115.56(15) . .
O6 Si2 O5 116.03(15) . .
O7 Si2 O8 105.63(15) . .
O6 Si2 O8 113.23(15) . .
O5 Si2 O8 98.73(13) . .
O7 Si2 Ce1 126.86(13) . .
O6 Si2 Ce1 125.49(11) . .
O5 Si2 Ce1 49.22(9) . .
O8 Si2 Ce1 49.79(9) . .
O10 Si3 O9 111.3(3) . .
O10 Si3 O11 128.6(3) . .
O9 Si3 O11 115.5(2) . .
O10 Si3 O12 73.4(3) . .
O9 Si3 O12 110.1(2) . .
O11 Si3 O12 107.7(3) . .
O9 Si3 O12A 113.1(2) . .
O9 Si3 O11A 109.5(3) . .
O12A Si3 O11A 103.5(3) . .
O9 Si3 O10A 108.6(2) . .
O12A Si3 O10A 134.6(3) . .
O11A Si3 O10A 78.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.431(5) .
C1 C3 1.50(2) .
C1 C2 1.512(8) .
C1 C4 1.516(19) .
C1 C3A 1.522(16) .
C1 C4A 1.545(14) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C3A H3A1 0.9800 .
C3A H3A2 0.9800 .
C3A H3A3 0.9800 .
C4A H4A1 0.9800 .
C4A H4A2 0.9800 .
C4A H4A3 0.9800 .
C5 O3 1.440(5) .
C5 C6 1.514(6) .
C5 C8 1.520(6) .
C5 C7 1.523(7) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 O4 1.445(5) .
C9 C12A 1.474(11) .
C9 C11 1.504(7) .
C9 C10 1.53(3) .
C9 C10A 1.574(10) .
C9 C12 1.69(3) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C10A H10D 0.9800 .
C10A H10E 0.9800 .
C10A H10F 0.9800 .
C12A H12D 0.9800 .
C12A H12E 0.9800 .
C12A H12F 0.9800 .
C13 O6 1.445(5) .
C13 C15 1.507(6) .
C13 C14 1.516(6) .
C13 C16 1.526(6) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 O7 1.443(5) .
C17 C19 1.443(10) .
C17 C18 1.505(7) .
C17 C20A 1.54(2) .
C17 C20 1.571(9) .
C17 C19A 1.575(10) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C18 H18D 0.9800 .
C18 H18E 0.9800 .
C18 H18F 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C19A H19D 0.9800 .
C19A H19E 0.9800 .
C19A H19F 0.9800 .
C20A H20D 0.9800 .
C20A H20E 0.9800 .
C20A H20F 0.9800 .
C21 O8 1.486(4) .
C21 C24 1.513(6) .
C21 C22 1.524(6) .
C21 C23 1.527(6) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
O10 C25 1.45(2) .
O10 Si3 1.548(6) .
C25 C27 1.14(3) .
C25 C28 1.73(4) .
C25 C26 1.81(3) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
O10A C25A 1.455(18) .
O10A Si3 1.664(5) .
C25A C26A 1.32(3) .
C25A C28A 1.45(3) .
C25A C27A 1.87(3) .
C26A H26D 0.9800 .
C26A H26E 0.9800 .
C26A H26F 0.9800 .
C27A H27D 0.9800 .
C27A H27E 0.9800 .
C27A H27F 0.9800 .
C28A H28D 0.9800 .
C28A H28E 0.9800 .
C28A H28F 0.9800 .
C29 O11A 1.341(9) .
C29 C31 1.473(9) .
C29 C30 1.498(8) .
C29 O11 1.530(7) .
C29 C32 1.577(11) .
C29 C32A 1.604(12) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C33 C36 1.447(12) .
C33 O12 1.489(7) .
C33 C34 1.498(9) .
C33 C35 1.509(8) .
C33 O12A 1.532(8) .
C33 C36A 1.606(14) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
Ce1 O9 2.186(3) .
Ce1 O1 2.202(3) .
Ce1 O5 2.396(2) 7_567
Ce1 O5 2.532(2) .
Ce1 O8 2.539(2) .
Ce1 Si2 3.2717(10) .
Ce1 Ce1 3.9964(4) 7_567
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
O12 Si3 1.644(5) .
O12A Si3 1.650(6) .
C36A H36D 0.9800 .
C36A H36E 0.9800 .
C36A H36F 0.9800 .
O11 Si3 1.605(5) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
O11A Si3 1.663(7) .
C32A H32D 0.9800 .
C32A H32E 0.9800 .
C32A H32F 0.9800 .
O1 Si1 1.602(3) .
O2 Si1 1.633(3) .
O3 Si1 1.629(3) .
O4 Si1 1.634(3) .
O5 Si2 1.616(3) .
O5 Ce1 2.396(2) 7_567
O6 Si2 1.612(3) .
O7 Si2 1.611(3) .
O8 Si2 1.662(3) .
O9 Si3 1.595(3) .
