Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.
Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner; Dalton transactions (Cambridge, England : 2003) 47 (2018) 10113–10123; doi:10.1039/c8dt01878b

data_7046916
_publ_section_title
;
 Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at
 cerium.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10113
_journal_page_last               10123
_journal_paper_doi               10.1039/c8dt01878b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C54 H120 Ce O17.5 Si4'
_chemical_formula_weight         1301.97
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      trigonal
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_space_group_name_Hall           'P 32'
_space_group_name_H-M_alt        'P 32'
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_symmetry_space_group_name_H-M   'P 32'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-28 deposited with the CCDC.
2018-06-29 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
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_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.512
_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.1405
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_diffrn_reflns_number            39183
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_diffrn_reflns_theta_max         27.101
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_diffrn_source                   'ImuS-focus sealed tube'
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.400(15)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0455P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c8dt01878b2.cif
_cod_data_source_block           mo_1THF_jfr99a_0m
_cod_depositor_comments
'Adding full bibliography for 7046916--7046919.cif.'
_cod_original_cell_volume        11294.4(5)
_cod_original_formula_sum        'C54 H120 Ce O17.50 Si4'
_cod_database_code               7046916
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.790
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_shelx_res_checksum              19281