#------------------------------------------------------------------------------
#$Date: 2024-12-05 01:00:23 +0200 (Thu, 05 Dec 2024) $
#$Revision: 296219 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/76/7717633.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_7717633
loop_
_publ_author_name
'Brown, Adrian N.'
'Kelleher, Jack N.'
'Brown, Alexander M.'
'Saghy, Peter'
'Bohl, Joshua J.'
'Robinson, Jerome R.'
'Huh, Daniel N.'
_publ_section_title
;
 Synthesis and reduction of
 [(C₅H₄SiMe₃)₂Ln(μ-OR)]₂
 (Ln = La, Ce) complexes: structural effects of bridging alkoxides.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18856
_journal_page_last               18864
_journal_paper_doi               10.1039/d4dt02137a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C19 H33 Ce O Si2)'
_chemical_formula_sum            'C38 H66 Ce2 O2 Si4'
_chemical_formula_weight         947.50
_chemical_name_systematic        '[Ce(Cp')2(OiPr)]2'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-12
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-07-22 deposited with the CCDC.	2024-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.767(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.043(2)
_cell_length_b                   13.8611(19)
_cell_length_c                   18.671(3)
_cell_measurement_reflns_used    9823
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      27.451
_cell_measurement_theta_min      2.663
_cell_volume                     4587.3(11)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1295
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            125523
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.732
_diffrn_reflns_theta_min         2.058
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    2.091
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1222 before and 0.1003 after correction.
The Ratio of minimum to maximum transmission is 0.7319.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       plate
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.113
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         10704
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0595P)²+8.8239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1583
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6186
_reflns_number_total             10704
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02137a2.cif
_cod_data_source_block           mo_dh20240216_c_0m
_cod_database_code               7717633
_shelx_shelxl_version_number     2019/1
_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_max   0.940
_shelx_estimated_absorpt_t_min   0.851
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si4-C33 \\sim Si4-C33A
 with sigma of 0.02
 Si4-C32 \\sim Si4-C32A
 with sigma of 0.02
 Si4-C34 \\sim Si4-C34A
 with sigma of 0.02
 C17-C19 \\sim C17A-C19A
 with sigma of 0.02
 O1-C17 \\sim O1-C17A
 with sigma of 0.02
 C18-C19 \\sim C18A-C19A
 with sigma of 0.04
 C17-C18 \\sim C17A-C18A
 with sigma of 0.02
 O1-C18 \\sim O1-C18A
 with sigma of 0.04
 O1-C19 \\sim O1-C19A
 with sigma of 0.04
3. Rigid bond restraints
 Si4, C32, C33, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O1, C17, C18, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Si4, C32, C33, C34, C32A, C33A, C34A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Si4 \\sim C32 \\sim C33 \\sim C34: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 1.7A
O1 \\sim C17 \\sim C18 \\sim C19: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 1.7A
Si4 \\sim C32 \\sim C33 \\sim C34 \\sim C32A \\sim C33A \\sim C34A: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 1.7A
5. Rigid body (RIGU) restrains
 Si4, C32, C33, C34
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O1, C17, C18, C19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Si4, C32, C33, C34, C32A, C33A, C34A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C35, C36, C37
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C17, C18, C19, C17A, C18A, C19A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C32A)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33A)=Sof(H33D)=Sof(H33E)=
 Sof(H33F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=1-FVAR(1)
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=FVAR(1)
 Fixed Sof: C17(0.5) H17(0.5) C18(0.5) H18A(0.5) H18B(0.5) H18C(0.5) C19(0.5)
 H19A(0.5) H19B(0.5) H19C(0.5) C17A(0.5) H17A(0.5) C18A(0.5) H18D(0.5)
 H18E(0.5) H18F(0.5) C19A(0.5) H19D(0.5) H19E(0.5) H19F(0.5)
7.a Ternary CH refined with riding coordinates:
 C17(H17), C17A(H17A), C35(H35)
7.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C12(H12),
 C20(H20), C21(H21), C22(H22), C23(H23), C27(H27), C28(H28), C29(H29), C30(H30)
7.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C18A(H18D,H18E,H18F), C19A(H19D,H19E,H19F), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C32A(H32D,H32E,H32F), C33A(H33D,H33E,H33F), C34A(H34D,H34E,H34F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
Ce1 Ce 0.750000 0.96658(3) 0.250000 0.03251(13) Uani 1 2 d S T P A .
Ce2 Ce 0.750000 0.69380(3) 0.250000 0.03048(13) Uani 1 2 d S T P A .
Si1 Si 0.86381(12) 1.16408(14) 0.40288(12) 0.0521(5) Uani 1 1 d . . . . .
Si2 Si 0.64568(11) 0.50384(15) 0.37609(10) 0.0487(5) Uani 1 1 d . . . . .
O1 O 0.7448(2) 0.8305(3) 0.1751(2) 0.0395(10) Uani 1 1 d D U . . .
C1 C 0.8508(3) 1.1183(5) 0.2476(4) 0.0465(16) Uani 1 1 d . . . . .
H1 H 0.827205 1.177522 0.230836 0.056 Uiso 1 1 calc R U . A .
C2 C 0.8739(4) 1.0472(5) 0.2029(4) 0.0522(18) Uani 1 1 d . . . . .
H2 H 0.869197 1.049942 0.151405 0.063 Uiso 1 1 calc R U . A .
C3 C 0.9050(4) 0.9722(5) 0.2480(4) 0.0543(19) Uani 1 1 d . . . . .
H3 H 0.925450 0.914279 0.232574 0.065 Uiso 1 1 calc R U . A .
C4 C 0.9012(3) 0.9962(4) 0.3199(4) 0.0438(15) Uani 1 1 d . . . . .
H4 H 0.918278 0.956765 0.361246 0.053 Uiso 1 1 calc R U . A .
C5 C 0.8678(3) 1.0886(4) 0.3216(3) 0.0398(14) Uani 1 1 d . . . . .
C6 C 0.7795(5) 1.1450(6) 0.4447(4) 0.070(2) Uani 1 1 d . . . . .
H6A H 0.733825 1.155205 0.407929 0.105 Uiso 1 1 calc R U . . .
H6B H 0.780379 1.190757 0.484865 0.105 Uiso 1 1 calc R U . . .
H6C H 0.779860 1.078929 0.463463 0.105 Uiso 1 1 calc R U . . .
C7 C 0.9484(6) 1.1389(9) 0.4725(6) 0.116(4) Uani 1 1 d . . . . .
H7A H 0.953991 1.069067 0.479616 0.174 Uiso 1 1 calc R U . . .
H7B H 0.943163 1.169600 0.518535 0.174 Uiso 1 1 calc R U . . .
H7C H 0.993074 1.164716 0.456214 0.174 Uiso 1 1 calc R U . . .
C8 C 0.8637(6) 1.2914(5) 0.3742(6) 0.090(3) Uani 1 1 d . . . . .
H8A H 0.909898 1.305110 0.355568 0.135 Uiso 1 1 calc R U . . .
H8B H 0.861504 1.333293 0.416099 0.135 Uiso 1 1 calc R U . . .
H8C H 0.819692 1.303604 0.335852 0.135 Uiso 1 1 calc R U . . .
C9 C 0.6035(3) 0.6685(4) 0.2786(4) 0.0432(15) Uani 1 1 d . . . . .
H9 H 0.590532 0.709312 0.315178 0.052 Uiso 1 1 calc R U . A .
C10 C 0.5925(4) 0.6906(5) 0.2045(4) 0.0511(18) Uani 1 1 d . . . . .
H10 H 0.571025 0.748232 0.182150 0.061 Uiso 1 1 calc R U . A .
C11 C 0.6187(4) 0.6126(5) 0.1692(4) 0.0498(17) Uani 1 1 d . . . . .
H11 H 0.617775 0.607602 0.118278 0.060 Uiso 1 1 calc R U . A .
C12 C 0.6466(3) 0.5426(4) 0.2217(3) 0.0415(15) Uani 1 1 d . . . . .
H12 H 0.668363 0.482702 0.212089 0.050 Uiso 1 1 calc R U . A .
C13 C 0.6372(3) 0.5757(4) 0.2913(3) 0.0378(14) Uani 1 1 d . . . . .
C14 C 0.6345(6) 0.3752(5) 0.3498(5) 0.084(3) Uani 1 1 d . . . . .
H14A H 0.588365 0.366962 0.313184 0.125 Uiso 1 1 calc R U . . .
H14B H 0.630990 0.336273 0.392921 0.125 Uiso 1 1 calc R U . . .
H14C H 0.678092 0.354126 0.329512 0.125 Uiso 1 1 calc R U . . .
C15 C 0.7373(4) 0.5174(6) 0.4388(4) 0.065(2) Uani 1 1 d . . . . .
H15A H 0.777954 0.495511 0.414532 0.098 Uiso 1 1 calc R U . . .
H15B H 0.737269 0.478596 0.482666 0.098 Uiso 1 1 calc R U . . .
H15C H 0.745244 0.585434 0.452510 0.098 Uiso 1 1 calc R U . . .
C16 C 0.5699(5) 0.5436(8) 0.4255(4) 0.084(3) Uani 1 1 d . . . . .
H16A H 0.580155 0.609664 0.443278 0.127 Uiso 1 1 calc R U . . .
H16B H 0.568726 0.500447 0.466799 0.127 Uiso 1 1 calc R U . . .
H16C H 0.520987 0.541573 0.392147 0.127 Uiso 1 1 calc R U . . .
C17 C 0.7422(8) 0.8046(12) 0.1023(6) 0.051(3) Uani 0.5 1 d D U P A 1
H17 H 0.745711 0.732567 0.103617 0.061 Uiso 0.5 1 calc R U P A 1
C18 C 0.6665(14) 0.824(5) 0.0558(15) 0.057(8) Uani 0.5 1 d D U P A 1
H18A H 0.626843 0.798921 0.080000 0.085 Uiso 0.5 1 calc R U P A 1
H18B H 0.663472 0.792538 0.008415 0.085 Uiso 0.5 1 calc R U P A 1
H18C H 0.659864 0.893902 0.048654 0.085 Uiso 0.5 1 calc R U P A 1
C19 C 0.8075(15) 0.835(5) 0.0707(17) 0.060(10) Uani 0.5 1 d D U P A 1
H19A H 0.805298 0.904678 0.062325 0.090 Uiso 0.5 1 calc R U P A 1
H19B H 0.806474 0.801337 0.024335 0.090 Uiso 0.5 1 calc R U P A 1
H19C H 0.854245 0.818708 0.104537 0.090 Uiso 0.5 1 calc R U P A 1
C17A C 0.7372(8) 0.8602(10) 0.1020(6) 0.044(3) Uani 0.5 1 d D . P A 2
H17A H 0.728578 0.931531 0.100876 0.052 Uiso 0.5 1 calc R U P A 2
C18A C 0.6695(15) 0.815(5) 0.0546(15) 0.059(8) Uani 0.5 1 d D . P A 2
H18D H 0.678700 0.745648 0.049412 0.088 Uiso 0.5 1 calc R U P A 2
H18E H 0.660694 0.845294 0.006388 0.088 Uiso 0.5 1 calc R U P A 2
H18F H 0.625086 0.823740 0.077082 0.088 Uiso 0.5 1 calc R U P A 2
C19A C 0.8082(15) 0.843(5) 0.0740(17) 0.057(9) Uani 0.5 1 d D . P A 2
H19D H 0.850986 0.869565 0.108192 0.086 Uiso 0.5 1 calc R U P A 2
H19E H 0.804688 0.873685 0.026313 0.086 Uiso 0.5 1 calc R U P A 2
H19F H 0.815425 0.773053 0.069013 0.086 Uiso 0.5 1 calc R U P A 2
Ce3 Ce 0.250000 0.30955(3) 0.250000 0.03230(13) Uani 1 2 d S T P . .
Ce4 Ce 0.250000 0.03557(3) 0.250000 0.03667(14) Uani 1 2 d S T P . .
Si3 Si 0.38328(11) 0.49212(15) 0.14432(11) 0.0529(5) Uani 1 1 d . . . . .
Si4 Si 0.11116(14) -0.16615(17) 0.11423(13) 0.0659(6) Uani 1 1 d D U . . .
O2 O 0.1720(2) 0.1736(3) 0.2404(2) 0.0416(10) Uani 1 1 d . . . . .
C00S C 0.2932(3) 0.4260(5) 0.1384(3) 0.0409(14) Uani 1 1 d . . . . .
C20 C 0.2228(4) 0.4637(5) 0.1493(4) 0.0494(17) Uani 1 1 d . . . . .
H20 H 0.215571 0.525239 0.169214 0.059 Uiso 1 1 calc R U . . .
C21 C 0.1661(4) 0.3963(6) 0.1261(4) 0.0518(17) Uani 1 1 d . . . . .
H21 H 0.114116 0.403544 0.128057 0.062 Uiso 1 1 calc R U . . .
C22 C 0.1989(4) 0.3172(6) 0.0999(3) 0.057(2) Uani 1 1 d . . . . .
H22 H 0.172521 0.261207 0.079805 0.068 Uiso 1 1 calc R U . . .
C23 C 0.2756(4) 0.3313(5) 0.1073(3) 0.0495(17) Uani 1 1 d . . . . .
H23 H 0.310779 0.286624 0.094148 0.059 Uiso 1 1 calc R U . . .
C24 C 0.4365(5) 0.4379(8) 0.0784(5) 0.095(3) Uani 1 1 d . . . . .
H24A H 0.447623 0.370148 0.091259 0.142 Uiso 1 1 calc R U . . .
H24B H 0.483878 0.473146 0.080051 0.142 Uiso 1 1 calc R U . . .
H24C H 0.406195 0.441616 0.029148 0.142 Uiso 1 1 calc R U . . .
C25 C 0.4422(5) 0.4878(7) 0.2357(4) 0.088(3) Uani 1 1 d . . . . .
H25A H 0.413971 0.514476 0.271236 0.131 Uiso 1 1 calc R U . . .
H25B H 0.488022 0.525892 0.236306 0.131 Uiso 1 1 calc R U . . .
H25C H 0.455914 0.420740 0.248501 0.131 Uiso 1 1 calc R U . . .
C26 C 0.3624(6) 0.6198(6) 0.1178(6) 0.096(3) Uani 1 1 d . . . . .
H26A H 0.335028 0.622444 0.067303 0.144 Uiso 1 1 calc R U . . .
H26B H 0.409722 0.655796 0.122082 0.144 Uiso 1 1 calc R U . . .
H26C H 0.331317 0.648411 0.150074 0.144 Uiso 1 1 calc R U . . .
C27 C 0.2016(5) 0.0050(5) 0.0999(4) 0.0573(18) Uani 1 1 d . . . . .
H27 H 0.159884 0.043298 0.077617 0.069 Uiso 1 1 calc R U . . .
C28 C 0.2740(5) 0.0312(5) 0.1077(4) 0.061(2) Uani 1 1 d . . . . .
H28 H 0.291494 0.090784 0.091937 0.073 Uiso 1 1 calc R U . . .
C29 C 0.3203(5) -0.0426(6) 0.1426(4) 0.065(2) Uani 1 1 d . . . . .
H29 H 0.373855 -0.042988 0.154728 0.078 Uiso 1 1 calc R U . . .
C30 C 0.2709(4) -0.1156(5) 0.1559(4) 0.0585(19) Uani 1 1 d . . . . .
H30 H 0.285851 -0.175195 0.179301 0.070 Uiso 1 1 calc R U . . .
C31 C 0.1962(4) -0.0877(5) 0.1295(3) 0.0474(16) Uani 1 1 d . . . . .
C35 C 0.0949(4) 0.1483(7) 0.2309(4) 0.065(2) Uani 1 1 d . . . . .
H35 H 0.094297 0.076217 0.229659 0.078 Uiso 1 1 calc R U . . .
C36 C 0.0496(4) 0.1781(6) 0.1603(4) 0.064(2) Uani 1 1 d . . . . .
H36A H 0.050902 0.248520 0.156000 0.096 Uiso 1 1 calc R U . . .
H36B H -0.002709 0.156810 0.157315 0.096 Uiso 1 1 calc R U . . .
H36C H 0.070393 0.148742 0.120568 0.096 Uiso 1 1 calc R U . . .
C37 C 0.0602(4) 0.1747(6) 0.2958(4) 0.067(2) Uani 1 1 d . . . . .
H37A H 0.087616 0.142057 0.339333 0.100 Uiso 1 1 calc R U . . .
H37B H 0.007222 0.154471 0.286916 0.100 Uiso 1 1 calc R U . . .
H37C H 0.063193 0.244678 0.303223 0.100 Uiso 1 1 calc R U . . .
C32 C 0.1176(10) -0.2556(13) 0.0447(10) 0.123(6) Uani 0.700(10) 1 d D U P B 1
H32A H 0.128771 -0.223496 0.001183 0.185 Uiso 0.700(10) 1 calc R U P B 1
H32B H 0.069548 -0.290178 0.032145 0.185 Uiso 0.700(10) 1 calc R U P B 1
H32C H 0.157973 -0.301480 0.063255 0.185 Uiso 0.700(10) 1 calc R U P B 1
C33 C 0.0964(10) -0.2346(14) 0.1964(8) 0.128(6) Uani 0.700(10) 1 d D U P B 1
H33A H 0.143926 -0.265209 0.219421 0.191 Uiso 0.700(10) 1 calc R U P B 1
H33B H 0.057937 -0.284326 0.181959 0.191 Uiso 0.700(10) 1 calc R U P B 1
H33C H 0.079751 -0.190297 0.231117 0.191 Uiso 0.700(10) 1 calc R U P B 1
C34 C 0.0248(7) -0.0942(11) 0.0863(9) 0.115(5) Uani 0.700(10) 1 d D U P B 1
H34A H 0.018086 -0.051135 0.126230 0.172 Uiso 0.700(10) 1 calc R U P B 1
H34B H -0.018738 -0.137354 0.074555 0.172 Uiso 0.700(10) 1 calc R U P B 1
H34C H 0.029243 -0.055696 0.043257 0.172 Uiso 0.700(10) 1 calc R U P B 1
C32A C 0.080(3) -0.173(3) 0.0163(11) 0.119(11) Uani 0.300(10) 1 d D U P B 2
H32D H 0.056041 -0.112189 -0.001700 0.178 Uiso 0.300(10) 1 calc R U P B 2
H32E H 0.044047 -0.226070 0.004462 0.178 Uiso 0.300(10) 1 calc R U P B 2
H32F H 0.123841 -0.184710 -0.006931 0.178 Uiso 0.300(10) 1 calc R U P B 2
C33A C 0.1528(18) -0.2878(16) 0.139(2) 0.101(9) Uani 0.300(10) 1 d D U P B 2
H33D H 0.181943 -0.308349 0.102265 0.151 Uiso 0.300(10) 1 calc R U P B 2
H33E H 0.112180 -0.334322 0.140548 0.151 Uiso 0.300(10) 1 calc R U P B 2
H33F H 0.185946 -0.284676 0.186792 0.151 Uiso 0.300(10) 1 calc R U P B 2
C34A C 0.0523(17) -0.141(3) 0.1796(17) 0.096(8) Uani 0.300(10) 1 d D U P B 2
H34D H 0.082692 -0.111365 0.223085 0.144 Uiso 0.300(10) 1 calc R U P B 2
H34E H 0.029980 -0.201004 0.193224 0.144 Uiso 0.300(10) 1 calc R U P B 2
H34F H 0.012002 -0.096275 0.158194 0.144 Uiso 0.300(10) 1 calc R U 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'
Ce Ce -0.2486 2.6331 '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'
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
O1 Ce1 O1 72.56(19) 2_655 . ?
O1 Ce1 C1 123.55(17) . . ?
O1 Ce1 C1 131.65(17) . 2_655 ?
O1 Ce1 C1 131.65(17) 2_655 . ?
O1 Ce1 C1 123.54(17) 2_655 2_655 ?
O1 Ce1 C2 124.56(19) 2_655 . ?
O1 Ce1 C2 124.56(19) . 2_655 ?
O1 Ce1 C2 94.57(18) . . ?
O1 Ce1 C2 94.57(18) 2_655 2_655 ?
O1 Ce1 C3 86.74(18) 2_655 2_655 ?
O1 Ce1 C3 95.82(19) . 2_655 ?
O1 Ce1 C3 95.82(19) 2_655 . ?
O1 Ce1 C3 86.74(18) . . ?
O1 Ce1 C4 85.05(16) 2_655 . ?
O1 Ce1 C4 85.05(16) . 2_655 ?
O1 Ce1 C4 108.73(17) 2_655 2_655 ?
O1 Ce1 C4 108.73(17) . . ?
O1 Ce1 C5 134.67(16) . . ?
O1 Ce1 C5 104.77(16) 2_655 . ?
O1 Ce1 C5 104.78(16) . 2_655 ?
O1 Ce1 C5 134.67(16) 2_655 2_655 ?
C1 Ce1 C1 81.9(3) . 2_655 ?
C1 Ce1 C3 129.4(2) . 2_655 ?
C1 Ce1 C3 47.4(2) . . ?
C1 Ce1 C3 47.4(2) 2_655 2_655 ?
C1 Ce1 C3 129.4(2) 2_655 . ?
C1 Ce1 C4 47.22(19) . . ?
C1 Ce1 C4 47.22(19) 2_655 2_655 ?
C1 Ce1 C4 117.34(19) 2_655 . ?
C1 Ce1 C4 117.35(19) . 2_655 ?
C1 Ce1 C5 88.62(19) 2_655 . ?
C1 Ce1 C5 29.16(18) . . ?
C1 Ce1 C5 88.63(19) . 2_655 ?
C1 Ce1 C5 29.16(18) 2_655 2_655 ?
C2 Ce1 C1 105.5(2) 2_655 . ?
C2 Ce1 C1 105.5(2) . 2_655 ?
C2 Ce1 C1 29.22(19) . . ?
C2 Ce1 C1 29.22(19) 2_655 2_655 ?
C2 Ce1 C2 132.7(3) . 2_655 ?
C2 Ce1 C3 28.8(2) . . ?
C2 Ce1 C3 28.8(2) 2_655 2_655 ?
C2 Ce1 C3 148.7(2) 2_655 . ?
C2 Ce1 C3 148.7(2) . 2_655 ?
C2 Ce1 C4 124.0(2) 2_655 . ?
C2 Ce1 C4 47.5(2) 2_655 2_655 ?
C2 Ce1 C4 124.0(2) . 2_655 ?
C2 Ce1 C4 47.5(2) . . ?
C2 Ce1 C5 100.7(2) . 2_655 ?
C2 Ce1 C5 100.7(2) 2_655 . ?
C2 Ce1 C5 48.47(19) 2_655 2_655 ?
C2 Ce1 C5 48.47(19) . . ?
C3 Ce1 C3 176.8(3) . 2_655 ?
C3 Ce1 C4 28.74(19) . . ?
C3 Ce1 C4 150.3(2) . 2_655 ?
C3 Ce1 C4 150.3(2) 2_655 . ?
C3 Ce1 C4 28.73(19) 2_655 2_655 ?
C3 Ce1 C5 129.5(2) . 2_655 ?
C3 Ce1 C5 129.5(2) 2_655 . ?
C3 Ce1 C5 48.02(19) . . ?
C3 Ce1 C5 48.02(19) 2_655 2_655 ?
C4 Ce1 C4 163.3(3) . 2_655 ?
C4 Ce1 C5 28.95(17) 2_655 2_655 ?
C4 Ce1 C5 134.59(18) 2_655 . ?
C4 Ce1 C5 134.59(18) . 2_655 ?
C4 Ce1 C5 28.95(17) . . ?
C5 Ce1 C5 107.1(2) . 2_655 ?
O1 Ce2 O1 72.28(19) . 2_655 ?
O1 Ce2 C9 85.54(16) . 2_655 ?
O1 Ce2 C9 106.22(17) 2_655 2_655 ?
O1 Ce2 C9 106.22(16) . . ?
O1 Ce2 C9 85.54(16) 2_655 . ?
O1 Ce2 C10 84.66(17) 2_655 2_655 ?
O1 Ce2 C10 96.82(18) 2_655 . ?
O1 Ce2 C10 96.82(18) . 2_655 ?
O1 Ce2 C10 84.66(17) . . ?
O1 Ce2 C11 125.61(18) . 2_655 ?
O1 Ce2 C11 125.61(18) 2_655 . ?
O1 Ce2 C11 93.90(17) 2_655 2_655 ?
O1 Ce2 C11 93.90(17) . . ?
O1 Ce2 C12 132.11(16) . 2_655 ?
O1 Ce2 C12 132.11(16) 2_655 . ?
O1 Ce2 C12 122.86(17) 2_655 2_655 ?
O1 Ce2 C12 122.86(17) . . ?
O1 Ce2 C13 104.81(15) . 2_655 ?
O1 Ce2 C13 132.74(16) 2_655 2_655 ?
O1 Ce2 C13 132.74(16) . . ?
O1 Ce2 C13 104.81(15) 2_655 . ?
C9 Ce2 C9 165.7(3) . 2_655 ?
C9 Ce2 C13 136.77(19) . 2_655 ?
C9 Ce2 C13 29.19(17) 2_655 2_655 ?
C9 Ce2 C13 136.77(19) 2_655 . ?
C9 Ce2 C13 29.19(17) . . ?
C10 Ce2 C9 150.8(2) 2_655 . ?
C10 Ce2 C9 28.71(19) . . ?
C10 Ce2 C9 28.71(19) 2_655 2_655 ?
C10 Ce2 C9 150.8(2) . 2_655 ?
C10 Ce2 C10 178.2(3) 2_655 . ?
C10 Ce2 C13 130.31(19) 2_655 . ?
C10 Ce2 C13 130.31(19) . 2_655 ?
C10 Ce2 C13 48.28(18) 2_655 2_655 ?
C10 Ce2 C13 48.28(18) . . ?
C11 Ce2 C9 47.2(2) . . ?
C11 Ce2 C9 125.3(2) 2_655 . ?
C11 Ce2 C9 47.2(2) 2_655 2_655 ?
C11 Ce2 C9 125.3(2) . 2_655 ?
C11 Ce2 C10 28.79(19) . . ?
C11 Ce2 C10 149.7(2) . 2_655 ?
C11 Ce2 C10 28.79(19) 2_655 2_655 ?
C11 Ce2 C10 149.7(2) 2_655 . ?
C11 Ce2 C11 132.5(3) 2_655 . ?
C11 Ce2 C13 48.23(18) 2_655 2_655 ?
C11 Ce2 C13 48.23(18) . . ?
C11 Ce2 C13 101.56(19) . 2_655 ?
C11 Ce2 C13 101.56(19) 2_655 . ?
C12 Ce2 C9 119.26(18) . 2_655 ?
C12 Ce2 C9 119.26(18) 2_655 . ?
C12 Ce2 C9 47.45(18) 2_655 2_655 ?
C12 Ce2 C9 47.45(18) . . ?
C12 Ce2 C10 130.4(2) . 2_655 ?
C12 Ce2 C10 47.78(19) 2_655 2_655 ?
C12 Ce2 C10 130.4(2) 2_655 . ?
C12 Ce2 C10 47.78(19) . . ?
C12 Ce2 C11 29.09(18) . . ?
C12 Ce2 C11 105.6(2) . 2_655 ?
C12 Ce2 C11 105.6(2) 2_655 . ?
C12 Ce2 C11 29.09(18) 2_655 2_655 ?
C12 Ce2 C12 82.6(3) . 2_655 ?
C12 Ce2 C13 90.21(18) . 2_655 ?
C12 Ce2 C13 29.23(16) 2_655 2_655 ?
C12 Ce2 C13 29.23(17) . . ?
C12 Ce2 C13 90.21(18) 2_655 . ?
C13 Ce2 C13 109.3(2) 2_655 . ?
C6 Si1 C5 115.1(3) . . ?
C7 Si1 C5 108.4(4) . . ?
C7 Si1 C6 108.2(5) . . ?
C7 Si1 C8 109.9(5) . . ?
C8 Si1 C5 107.5(4) . . ?
C8 Si1 C6 107.6(4) . . ?
C13 Si2 C16 108.1(4) . . ?
C14 Si2 C13 107.7(3) . . ?
C14 Si2 C16 111.2(5) . . ?
C15 Si2 C13 114.1(3) . . ?
C15 Si2 C14 107.9(4) . . ?
C15 Si2 C16 107.9(4) . . ?
Ce1 O1 Ce2 107.58(15) . . ?
C17 O1 Ce1 141.2(7) . . ?
C17 O1 Ce2 111.2(7) . . ?
C17A O1 Ce1 109.3(6) . . ?
C17A O1 Ce2 143.1(6) . . ?
Ce1 C1 H1 113.8 . . ?
C2 C1 Ce1 75.4(4) . . ?
C2 C1 H1 125.0 . . ?
C2 C1 C5 109.9(6) . . ?
C5 C1 Ce1 77.8(3) . . ?
C5 C1 H1 125.0 . . ?
Ce1 C2 H2 114.2 . . ?
C1 C2 Ce1 75.4(3) . . ?
C1 C2 H2 126.4 . . ?
C3 C2 Ce1 76.4(4) . . ?
C3 C2 C1 107.2(6) . . ?
C3 C2 H2 126.4 . . ?
Ce1 C3 H3 115.2 . . ?
C2 C3 Ce1 74.8(4) . . ?
C2 C3 H3 125.8 . . ?
C2 C3 C4 108.5(6) . . ?
C4 C3 Ce1 76.4(3) . . ?
C4 C3 H3 125.8 . . ?
Ce1 C4 H4 115.5 . . ?
C3 C4 Ce1 74.9(4) . . ?
C3 C4 H4 125.2 . . ?
C3 C4 C5 109.6(6) . . ?
C5 C4 Ce1 76.4(3) . . ?
C5 C4 H4 125.2 . . ?
Si1 C5 Ce1 125.4(3) . . ?
C1 C5 Ce1 73.0(3) . . ?
C1 C5 Si1 126.7(5) . . ?
C4 C5 Ce1 74.7(3) . . ?
C4 C5 Si1 127.5(5) . . ?
C4 C5 C1 104.8(6) . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Ce2 C9 H9 115.4 . . ?
C10 C9 Ce2 75.5(4) . . ?
C10 C9 H9 125.0 . . ?
C10 C9 C13 110.0(6) . . ?
C13 C9 Ce2 76.0(3) . . ?
C13 C9 H9 125.0 . . ?
Ce2 C10 H10 115.2 . . ?
C9 C10 Ce2 75.8(4) . . ?
C9 C10 H10 126.3 . . ?
C11 C10 Ce2 75.1(4) . . ?
C11 C10 C9 107.5(6) . . ?
C11 C10 H10 126.3 . . ?
Ce2 C11 H11 115.0 . . ?
C10 C11 Ce2 76.1(4) . . ?
C10 C11 H11 125.8 . . ?
C10 C11 C12 108.3(6) . . ?
C12 C11 Ce2 75.2(3) . . ?
C12 C11 H11 125.8 . . ?
Ce2 C12 H12 114.0 . . ?
C11 C12 Ce2 75.7(3) . . ?
C11 C12 H12 125.4 . . ?
C11 C12 C13 109.1(6) . . ?
C13 C12 Ce2 76.9(3) . . ?
C13 C12 H12 125.4 . . ?
Si2 C13 Ce2 126.5(3) . . ?
C9 C13 Ce2 74.8(3) . . ?
C9 C13 Si2 126.4(5) . . ?
C12 C13 Ce2 73.8(3) . . ?
C12 C13 Si2 127.2(5) . . ?
C12 C13 C9 105.1(5) . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 H17 104.0 . . ?
O1 C17 C18 112.2(18) . . ?
O1 C17 C19 115.5(18) . . ?
C18 C17 H17 104.0 . . ?
C19 C17 H17 104.0 . . ?
C19 C17 C18 115(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O1 C17A H17A 107.2 . . ?
O1 C17A C18A 111.6(19) . . ?
O1 C17A C19A 111.0(18) . . ?
C18A C17A H17A 107.2 . . ?
C19A C17A H17A 107.2 . . ?
C19A C17A C18A 112(2) . . ?
C17A C18A H18D 109.5 . . ?
C17A C18A H18E 109.5 . . ?
C17A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C17A C19A H19D 109.5 . . ?
C17A C19A H19E 109.5 . . ?
C17A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
O2 Ce3 O2 72.6(2) 2 . ?
O2 Ce3 C00S 105.63(16) . 2 ?
O2 Ce3 C00S 129.90(16) 2 2 ?
O2 Ce3 C00S 129.91(16) . . ?
O2 Ce3 C00S 105.63(16) 2 . ?
O2 Ce3 C20 133.41(17) 2 . ?
O2 Ce3 C20 133.41(17) . 2 ?
O2 Ce3 C20 122.04(18) . . ?
O2 Ce3 C20 122.04(18) 2 2 ?
O2 Ce3 C21 129.56(19) 2 . ?
O2 Ce3 C21 129.55(19) . 2 ?
O2 Ce3 C21 93.32(18) 2 2 ?
O2 Ce3 C21 93.32(18) . . ?
O2 Ce3 C22 82.63(18) . . ?
O2 Ce3 C22 100.9(2) . 2 ?
O2 Ce3 C22 82.62(18) 2 2 ?
O2 Ce3 C22 100.9(2) 2 . ?
O2 Ce3 C23 87.48(17) 2 . ?
O2 Ce3 C23 102.53(18) 2 2 ?
O2 Ce3 C23 102.53(18) . . ?
O2 Ce3 C23 87.48(17) . 2 ?
C00S Ce3 C00S 111.2(3) 2 . ?
C20 Ce3 C00S 91.21(19) 2 . ?
C20 Ce3 C00S 28.98(17) . . ?
C20 Ce3 C00S 91.21(19) . 2 ?
C20 Ce3 C00S 28.98(17) 2 2 ?
C20 Ce3 C20 81.9(3) . 2 ?
C21 Ce3 C00S 48.06(18) . . ?
C21 Ce3 C00S 48.06(18) 2 2 ?
C21 Ce3 C00S 100.4(2) . 2 ?
C21 Ce3 C00S 100.4(2) 2 . ?
C21 Ce3 C20 28.72(19) 2 2 ?
C21 Ce3 C20 103.1(2) 2 . ?
C21 Ce3 C20 103.1(2) . 2 ?
C21 Ce3 C20 28.72(19) . . ?
C21 Ce3 C21 128.9(3) . 2 ?
C21 Ce3 C23 47.6(2) . . ?
C21 Ce3 C23 125.5(2) 2 . ?
C21 Ce3 C23 125.5(2) . 2 ?
C21 Ce3 C23 47.6(2) 2 2 ?
C22 Ce3 C00S 128.9(2) 2 . ?
C22 Ce3 C00S 47.84(19) . . ?
C22 Ce3 C00S 47.84(19) 2 2 ?
C22 Ce3 C00S 128.9(2) . 2 ?
C22 Ce3 C20 47.0(2) . . ?
C22 Ce3 C20 128.6(2) . 2 ?
C22 Ce3 C20 128.7(2) 2 . ?
C22 Ce3 C20 47.0(2) 2 2 ?
C22 Ce3 C21 28.6(2) . . ?
C22 Ce3 C21 28.6(2) 2 2 ?
C22 Ce3 C21 147.7(2) 2 . ?
C22 Ce3 C21 147.7(2) . 2 ?
C22 Ce3 C22 175.6(3) . 2 ?
C22 Ce3 C23 150.4(2) . 2 ?
C22 Ce3 C23 150.4(2) 2 . ?
C22 Ce3 C23 28.6(2) 2 2 ?
C22 Ce3 C23 28.6(2) . . ?
C23 Ce3 C00S 29.61(18) 2 2 ?
C23 Ce3 C00S 29.61(18) . . ?
C23 Ce3 C00S 138.43(19) . 2 ?
C23 Ce3 C00S 138.43(19) 2 . ?
C23 Ce3 C20 47.62(19) 2 2 ?
C23 Ce3 C20 120.8(2) 2 . ?
C23 Ce3 C20 120.8(2) . 2 ?
C23 Ce3 C20 47.62(19) . . ?
C23 Ce3 C23 167.7(3) 2 . ?
O2 Ce4 O2 71.79(19) 2 . ?
O2 Ce4 C27 105.55(18) . 2 ?
O2 Ce4 C27 88.63(19) . . ?
O2 Ce4 C27 105.55(18) 2 . ?
O2 Ce4 C27 88.63(19) 2 2 ?
O2 Ce4 C28 98.2(2) 2 2 ?
O2 Ce4 C28 83.87(19) 2 . ?
O2 Ce4 C28 98.2(2) . . ?
O2 Ce4 C28 83.87(19) . 2 ?
O2 Ce4 C29 91.43(19) 2 . ?
O2 Ce4 C29 127.3(2) 2 2 ?
O2 Ce4 C29 127.3(2) . . ?
O2 Ce4 C29 91.43(19) . 2 ?
O2 Ce4 C30 120.33(19) 2 . ?
O2 Ce4 C30 134.85(19) . . ?
O2 Ce4 C30 120.33(19) . 2 ?
O2 Ce4 C30 134.85(19) 2 2 ?
O2 Ce4 C31 131.05(17) 2 . ?
O2 Ce4 C31 131.05(17) . 2 ?
O2 Ce4 C31 108.41(17) 2 2 ?
O2 Ce4 C31 108.41(17) . . ?
C27 Ce4 C27 162.7(3) 2 . ?
C27 Ce4 C31 134.0(2) . 2 ?
C27 Ce4 C31 28.87(19) 2 2 ?
C27 Ce4 C31 134.0(2) 2 . ?
C27 Ce4 C31 28.87(19) . . ?
C28 Ce4 C27 27.7(2) . . ?
C28 Ce4 C27 27.7(2) 2 2 ?
C28 Ce4 C27 151.5(2) . 2 ?
C28 Ce4 C27 151.5(2) 2 . ?
C28 Ce4 C28 177.5(3) . 2 ?
C28 Ce4 C29 148.8(3) . 2 ?
C28 Ce4 C29 29.2(2) . . ?
C28 Ce4 C29 148.8(3) 2 . ?
C28 Ce4 C29 29.2(2) 2 2 ?
C28 Ce4 C30 130.4(2) . 2 ?
C28 Ce4 C30 47.1(2) 2 2 ?
C28 Ce4 C30 47.1(2) . . ?
C28 Ce4 C30 130.4(2) 2 . ?
C28 Ce4 C31 47.2(2) . . ?
C28 Ce4 C31 130.8(2) . 2 ?
C28 Ce4 C31 47.2(2) 2 2 ?
C28 Ce4 C31 130.8(2) 2 . ?
C29 Ce4 C27 124.2(2) . 2 ?
C29 Ce4 C27 47.3(2) . . ?
C29 Ce4 C27 124.2(2) 2 . ?
C29 Ce4 C27 47.3(2) 2 2 ?
C29 Ce4 C29 134.2(4) 2 . ?
C29 Ce4 C30 107.0(3) . 2 ?
C29 Ce4 C30 107.0(3) 2 . ?
C29 Ce4 C30 29.0(2) 2 2 ?
C29 Ce4 C30 29.0(2) . . ?
C29 Ce4 C31 101.6(2) 2 . ?
C29 Ce4 C31 48.0(2) . . ?
C29 Ce4 C31 101.6(2) . 2 ?
C29 Ce4 C31 48.0(2) 2 2 ?
C30 Ce4 C27 46.8(2) . . ?
C30 Ce4 C27 46.8(2) 2 2 ?
C30 Ce4 C27 117.4(2) . 2 ?
C30 Ce4 C27 117.4(2) 2 . ?
C30 Ce4 C30 83.3(3) . 2 ?
C30 Ce4 C31 88.9(2) 2 . ?
C30 Ce4 C31 28.66(19) . . ?
C30 Ce4 C31 88.9(2) . 2 ?
C30 Ce4 C31 28.66(19) 2 2 ?
C31 Ce4 C31 106.2(3) . 2 ?
C00S Si3 C24 108.5(4) . . ?
C00S Si3 C26 108.9(4) . . ?
C24 Si3 C26 108.3(5) . . ?
C25 Si3 C00S 112.9(3) . . ?
C25 Si3 C24 108.8(5) . . ?
C25 Si3 C26 109.4(5) . . ?
C31 Si4 C33 114.3(5) . . ?
C31 Si4 C33A 102.0(11) . . ?
C32 Si4 C31 110.4(5) . . ?
C32 Si4 C33 106.2(9) . . ?
C32 Si4 C34 109.4(8) . . ?
C34 Si4 C31 110.9(5) . . ?
C34 Si4 C33 105.4(8) . . ?
C32A Si4 C31 106.0(14) . . ?
C32A Si4 C33A 103.6(18) . . ?
C34A Si4 C31 110.9(10) . . ?
C34A Si4 C32A 125.9(19) . . ?
C34A Si4 C33A 105.7(18) . . ?
Ce3 O2 Ce4 107.81(15) . . ?
C35 O2 Ce3 140.6(4) . . ?
C35 O2 Ce4 111.6(4) . . ?
Si3 C00S Ce3 126.3(3) . . ?
C20 C00S Ce3 74.4(3) . . ?
C20 C00S Si3 127.4(5) . . ?
C20 C00S C23 104.8(6) . . ?
C23 C00S Ce3 73.2(3) . . ?
C23 C00S Si3 126.7(5) . . ?
Ce3 C20 H20 115.9 . . ?
C00S C20 Ce3 76.6(4) . . ?
C00S C20 H20 125.2 . . ?
C21 C20 Ce3 74.1(4) . . ?
C21 C20 C00S 109.5(6) . . ?
C21 C20 H20 125.2 . . ?
Ce3 C21 H21 113.6 . . ?
C20 C21 Ce3 77.2(4) . . ?
C20 C21 H21 126.2 . . ?
C22 C21 Ce3 75.4(4) . . ?
C22 C21 C20 107.7(6) . . ?
C22 C21 H21 126.2 . . ?
Ce3 C22 H22 114.5 . . ?
C21 C22 Ce3 75.9(4) . . ?
C21 C22 H22 125.0 . . ?
C21 C22 C23 110.0(6) . . ?
C23 C22 Ce3 76.6(4) . . ?
C23 C22 H22 125.0 . . ?
Ce3 C23 H23 114.3 . . ?
C00S C23 Ce3 77.2(3) . . ?
C00S C23 H23 126.0 . . ?
C22 C23 Ce3 74.8(4) . . ?
C22 C23 C00S 108.0(6) . . ?
C22 C23 H23 126.0 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si3 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
Si3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Ce4 C27 H27 115.2 . . ?
C28 C27 Ce4 74.6(4) . . ?
C28 C27 H27 125.0 . . ?
C28 C27 C31 109.9(7) . . ?
C31 C27 Ce4 77.1(4) . . ?
C31 C27 H27 125.0 . . ?
Ce4 C28 H28 113.5 . . ?
C27 C28 Ce4 77.6(4) . . ?
C27 C28 H28 125.1 . . ?
C27 C28 C29 109.8(7) . . ?
C29 C28 Ce4 75.9(4) . . ?
C29 C28 H28 125.1 . . ?
Ce4 C29 H29 114.3 . . ?
C28 C29 Ce4 74.9(4) . . ?
C28 C29 H29 127.3 . . ?
C30 C29 Ce4 76.3(4) . . ?
C30 C29 C28 105.4(7) . . ?
C30 C29 H29 127.3 . . ?
Ce4 C30 H30 114.9 . . ?
C29 C30 Ce4 74.7(4) . . ?
C29 C30 H30 125.0 . . ?
C31 C30 Ce4 77.3(4) . . ?
C31 C30 C29 109.9(7) . . ?
C31 C30 H30 125.0 . . ?
Si4 C31 Ce4 128.5(3) . . ?
C27 C31 Ce4 74.0(4) . . ?
C27 C31 Si4 126.0(6) . . ?
C30 C31 Ce4 74.0(4) . . ?
C30 C31 Si4 127.3(6) . . ?
C30 C31 C27 105.0(6) . . ?
O2 C35 H35 104.9 . . ?
O2 C35 C36 114.3(6) . . ?
O2 C35 C37 112.8(6) . . ?
C36 C35 H35 104.9 . . ?
C36 C35 C37 114.0(6) . . ?
C37 C35 H35 104.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si4 C32 H32A 109.5 . . ?
Si4 C32 H32B 109.5 . . ?
Si4 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si4 C34 H34A 109.5 . . ?
Si4 C34 H34B 109.5 . . ?
Si4 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si4 C32A H32D 109.5 . . ?
Si4 C32A H32E 109.5 . . ?
Si4 C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
Si4 C33A H33D 109.5 . . ?
Si4 C33A H33E 109.5 . . ?
Si4 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
Si4 C34A H34D 109.5 . . ?
Si4 C34A H34E 109.5 . . ?
Si4 C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
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 O1 2.339(4) 2_655 ?
Ce1 O1 2.339(4) . ?
Ce1 C1 2.786(6) 2_655 ?
Ce1 C1 2.786(6) . ?
Ce1 C2 2.785(6) . ?
Ce1 C2 2.785(6) 2_655 ?
Ce1 C3 2.805(6) . ?
Ce1 C3 2.805(6) 2_655 ?
Ce1 C4 2.825(6) . ?
Ce1 C4 2.825(6) 2_655 ?
Ce1 C5 2.847(6) . ?
Ce1 C5 2.847(6) 2_655 ?
Ce2 O1 2.347(4) . ?
Ce2 O1 2.347(4) 2_655 ?
Ce2 C9 2.814(6) . ?
Ce2 C9 2.814(6) 2_655 ?
Ce2 C10 2.810(6) 2_655 ?
Ce2 C10 2.810(6) . ?
Ce2 C11 2.797(6) 2_655 ?
Ce2 C11 2.797(6) . ?
Ce2 C12 2.790(6) 2_655 ?
Ce2 C12 2.790(6) . ?
Ce2 C13 2.829(6) 2_655 ?
Ce2 C13 2.829(6) . ?
Si1 C5 1.855(7) . ?
Si1 C6 1.853(8) . ?
Si1 C7 1.844(9) . ?
Si1 C8 1.845(8) . ?
Si2 C13 1.853(6) . ?
Si2 C14 1.851(8) . ?
Si2 C15 1.848(7) . ?
Si2 C16 1.870(8) . ?
O1 C17 1.398(12) . ?
O1 C17A 1.408(11) . ?
C1 H1 0.9500 . ?
C1 C2 1.405(9) . ?
C1 C5 1.419(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.397(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.418(8) . ?
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 H9 0.9500 . ?
C9 C10 1.394(9) . ?
C9 C13 1.422(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.394(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.403(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.418(8) . ?
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 H17 1.0000 . ?
C17 C18 1.50(3) . ?
C17 C19 1.47(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17A H17A 1.0000 . ?
C17A C18A 1.51(3) . ?
C17A C19A 1.49(2) . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
Ce3 O2 2.339(4) . ?
Ce3 O2 2.339(4) 2 ?
Ce3 C00S 2.857(6) 2 ?
Ce3 C00S 2.857(6) . ?
Ce3 C20 2.828(6) 2 ?
Ce3 C20 2.828(6) . ?
Ce3 C21 2.789(6) . ?
Ce3 C21 2.789(6) 2 ?
Ce3 C22 2.783(6) . ?
Ce3 C22 2.783(6) 2 ?
Ce3 C23 2.805(6) 2 ?
Ce3 C23 2.805(6) . ?
Ce4 O2 2.361(4) . ?
Ce4 O2 2.361(4) 2 ?
Ce4 C27 2.808(7) 2 ?
Ce4 C27 2.808(7) . ?
Ce4 C28 2.772(6) . ?
Ce4 C28 2.772(6) 2 ?
Ce4 C29 2.784(7) 2 ?
Ce4 C29 2.785(7) . ?
Ce4 C30 2.805(7) 2 ?
Ce4 C30 2.805(7) . ?
Ce4 C31 2.847(6) . ?
Ce4 C31 2.847(6) 2 ?
Si3 C00S 1.851(6) . ?
Si3 C24 1.856(9) . ?
Si3 C25 1.835(8) . ?
Si3 C26 1.857(8) . ?
Si4 C31 1.859(7) . ?
Si4 C32 1.814(13) . ?
Si4 C33 1.865(14) . ?
Si4 C34 1.841(13) . ?
Si4 C32A 1.81(2) . ?
Si4 C33A 1.87(2) . ?
Si4 C34A 1.797(19) . ?
O2 C35 1.414(7) . ?
C00S C20 1.423(9) . ?
C00S C23 1.448(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.394(9) . ?
C21 H21 0.9500 . ?
C21 C22 1.378(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(10) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C28 1.338(10) . ?
C27 C31 1.410(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.402(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.401(10) . ?
C30 H30 0.9500 . ?
C30 C31 1.399(9) . ?
C35 H35 1.0000 . ?
C35 C36 1.475(10) . ?
C35 C37 1.509(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ce1 O1 C17 C18 -74(3) . . . . ?
Ce1 O1 C17 C19 61(3) . . . . ?
Ce1 O1 C17A C18A -125(3) . . . . ?
Ce1 O1 C17A C19A 109(3) . . . . ?
Ce1 C1 C2 C3 -70.5(4) . . . . ?
Ce1 C1 C5 Si1 -121.9(5) . . . . ?
Ce1 C1 C5 C4 68.5(4) . . . . ?
Ce1 C2 C3 C4 -69.7(4) . . . . ?
Ce1 C3 C4 C5 -69.2(4) . . . . ?
Ce1 C4 C5 Si1 123.2(5) . . . . ?
Ce1 C4 C5 C1 -67.3(4) . . . . ?
Ce2 O1 C17 C18 109(3) . . . . ?
Ce2 O1 C17 C19 -116(3) . . . . ?
Ce2 O1 C17A C18A 52(3) . . . . ?
Ce2 O1 C17A C19A -74(3) . . . . ?
Ce2 C9 C10 C11 69.0(4) . . . . ?
Ce2 C9 C13 Si2 124.4(4) . . . . ?
Ce2 C9 C13 C12 -68.2(4) . . . . ?
Ce2 C10 C11 C12 68.9(4) . . . . ?
Ce2 C11 C12 C13 70.4(4) . . . . ?
Ce2 C12 C13 Si2 -123.9(4) . . . . ?
Ce2 C12 C13 C9 68.9(4) . . . . ?
C1 C2 C3 Ce1 69.8(4) . . . . ?
C1 C2 C3 C4 0.1(7) . . . . ?
C2 C1 C5 Ce1 -69.3(4) . . . . ?
C2 C1 C5 Si1 168.8(5) . . . . ?
C2 C1 C5 C4 -0.8(7) . . . . ?
C2 C3 C4 Ce1 68.6(5) . . . . ?
C2 C3 C4 C5 -0.6(7) . . . . ?
C3 C4 C5 Ce1 68.2(4) . . . . ?
C3 C4 C5 Si1 -168.6(5) . . . . ?
C3 C4 C5 C1 0.8(7) . . . . ?
C5 C1 C2 Ce1 70.9(4) . . . . ?
C5 C1 C2 C3 0.5(7) . . . . ?
C6 Si1 C5 Ce1 7.3(5) . . . . ?
C6 Si1 C5 C1 102.1(6) . . . . ?
C6 Si1 C5 C4 -90.6(6) . . . . ?
C7 Si1 C5 Ce1 128.6(5) . . . . ?
C7 Si1 C5 C1 -136.5(7) . . . . ?
C7 Si1 C5 C4 30.7(7) . . . . ?
C8 Si1 C5 Ce1 -112.6(4) . . . . ?
C8 Si1 C5 C1 -17.7(7) . . . . ?
C8 Si1 C5 C4 149.5(6) . . . . ?
C9 C10 C11 Ce2 -69.5(5) . . . . ?
C9 C10 C11 C12 -0.6(7) . . . . ?
C10 C9 C13 Ce2 68.6(4) . . . . ?
C10 C9 C13 Si2 -167.0(4) . . . . ?
C10 C9 C13 C12 0.4(7) . . . . ?
C10 C11 C12 Ce2 -69.6(5) . . . . ?
C10 C11 C12 C13 0.8(7) . . . . ?
C11 C12 C13 Ce2 -69.6(4) . . . . ?
C11 C12 C13 Si2 166.5(4) . . . . ?
C11 C12 C13 C9 -0.8(7) . . . . ?
C13 C9 C10 Ce2 -68.9(4) . . . . ?
C13 C9 C10 C11 0.1(7) . . . . ?
C14 Si2 C13 Ce2 -117.5(4) . . . . ?
C14 Si2 C13 C9 144.5(6) . . . . ?
C14 Si2 C13 C12 -20.2(7) . . . . ?
C15 Si2 C13 Ce2 2.3(5) . . . . ?
C15 Si2 C13 C9 -95.8(6) . . . . ?
C15 Si2 C13 C12 99.5(6) . . . . ?
C16 Si2 C13 Ce2 122.3(4) . . . . ?
C16 Si2 C13 C9 24.3(6) . . . . ?
C16 Si2 C13 C12 -140.4(6) . . . . ?
Ce3 O2 C35 C36 64.5(9) . . . . ?
Ce3 O2 C35 C37 -67.7(9) . . . . ?
Ce3 C00S C20 C21 -67.5(5) . . . . ?
Ce3 C00S C23 C22 69.1(5) . . . . ?
Ce3 C20 C21 C22 -69.9(5) . . . . ?
Ce3 C21 C22 C23 -69.8(5) . . . . ?
Ce3 C22 C23 C00S -70.7(4) . . . . ?
Ce4 O2 C35 C36 -115.6(6) . . . . ?
Ce4 O2 C35 C37 112.2(6) . . . . ?
Ce4 C27 C28 C29 69.9(5) . . . . ?
Ce4 C27 C31 Si4 126.3(5) . . . . ?
Ce4 C27 C31 C30 -68.1(4) . . . . ?
Ce4 C28 C29 C30 70.8(5) . . . . ?
Ce4 C29 C30 C31 70.0(5) . . . . ?
Ce4 C30 C31 Si4 -126.5(5) . . . . ?
Ce4 C30 C31 C27 68.1(4) . . . . ?
Si3 C00S C20 Ce3 -124.1(5) . . . . ?
Si3 C00S C20 C21 168.4(5) . . . . ?
Si3 C00S C23 Ce3 123.2(5) . . . . ?
Si3 C00S C23 C22 -167.7(5) . . . . ?
C00S C20 C21 Ce3 69.2(5) . . . . ?
C00S C20 C21 C22 -0.8(7) . . . . ?
C20 C00S C23 Ce3 -68.2(4) . . . . ?
C20 C00S C23 C22 0.9(7) . . . . ?
C20 C21 C22 Ce3 71.1(5) . . . . ?
C20 C21 C22 C23 1.4(8) . . . . ?
C21 C22 C23 Ce3 69.3(5) . . . . ?
C21 C22 C23 C00S -1.4(8) . . . . ?
C23 C00S C20 Ce3 67.4(4) . . . . ?
C23 C00S C20 C21 -0.1(7) . . . . ?
C24 Si3 C00S Ce3 114.1(5) . . . . ?
C24 Si3 C00S C20 -147.7(6) . . . . ?
C24 Si3 C00S C23 18.3(7) . . . . ?
C25 Si3 C00S Ce3 -6.5(5) . . . . ?
C25 Si3 C00S C20 91.6(7) . . . . ?
C25 Si3 C00S C23 -102.3(6) . . . . ?
C26 Si3 C00S Ce3 -128.2(5) . . . . ?
C26 Si3 C00S C20 -30.1(7) . . . . ?
C26 Si3 C00S C23 136.0(6) . . . . ?
C27 C28 C29 Ce4 -71.0(5) . . . . ?
C27 C28 C29 C30 -0.3(8) . . . . ?
C28 C27 C31 Ce4 68.1(5) . . . . ?
C28 C27 C31 Si4 -165.6(5) . . . . ?
C28 C27 C31 C30 0.0(8) . . . . ?
C28 C29 C30 Ce4 -69.8(5) . . . . ?
C28 C29 C30 C31 0.3(8) . . . . ?
C29 C30 C31 Ce4 -68.3(5) . . . . ?
C29 C30 C31 Si4 165.2(5) . . . . ?
C29 C30 C31 C27 -0.2(8) . . . . ?
C31 C27 C28 Ce4 -69.7(5) . . . . ?
C31 C27 C28 C29 0.1(8) . . . . ?
C32 Si4 C31 Ce4 -162.7(9) . . . . ?
C32 Si4 C31 C27 99.0(10) . . . . ?
C32 Si4 C31 C30 -63.4(10) . . . . ?
C33 Si4 C31 Ce4 -43.1(9) . . . . ?
C33 Si4 C31 C27 -141.4(9) . . . . ?
C33 Si4 C31 C30 56.2(10) . . . . ?
C34 Si4 C31 Ce4 75.9(7) . . . . ?
C34 Si4 C31 C27 -22.4(9) . . . . ?
C34 Si4 C31 C30 175.2(8) . . . . ?
C32A Si4 C31 Ce4 150.2(16) . . . . ?
C32A Si4 C31 C27 51.9(17) . . . . ?
C32A Si4 C31 C30 -110.5(17) . . . . ?
C33A Si4 C31 Ce4 -101.7(13) . . . . ?
C33A Si4 C31 C27 160.0(14) . . . . ?
C33A Si4 C31 C30 -2.4(15) . . . . ?
C34A Si4 C31 Ce4 10.4(15) . . . . ?
C34A Si4 C31 C27 -87.8(16) . . . . ?
C34A Si4 C31 C30 109.8(16) . . . . ?
