Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.
Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.; Journal of the American Chemical Society 139 (2017) 2435–2442; doi:10.1021/jacs.6b12369

data_4125796
_publ_section_title
;
 Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity
 Studies.
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2435
_journal_page_last               2442
_journal_paper_doi               10.1021/jacs.6b12369
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         '1(C36 H54 Ce N4 O4 Si)'
_chemical_formula_sum            'C36 H54 Ce N4 O4 Si'
_chemical_formula_weight         775.04
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-12-30
_audit_creation_method
;
Olex2 1.2-dev
(compiled 2016.12.12 svn.r3370 for OlexSys, GUI svn.r5281)
;
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_cell_length_a                   12.1955(6)
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_cell_length_c                   19.6671(9)
_cell_measurement_reflns_used    9784
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.28
_cell_measurement_theta_min      2.35
_cell_volume                     3822.8(3)
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_diffrn_measurement_device       'CCD Area Detector'
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_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'sealed tube'
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_exptl_crystal_colour            brown
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_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/[\s^2^(Fo^2^)+(0.0686P)^2^+21.9204P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b12369_si_002.cif
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_shelx_shelxl_version_number     2014/7