Cerium tetrakis(diisopropylamide) – a useful precursor for cerium(IV) chemistry
David Schneider; Tatiana Spallek; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander; Chem.Commun. 50 (2014) 14763–; doi:10.1039/C4cc06228K

data_7115983
_publ_section_title
;
 Cerium tetrakis(diisopropylamide) -- a useful precursor for cerium(IV)
 chemistry
;
_journal_name_full               Chem.Commun.
_journal_page_first              14763
_journal_paper_doi               10.1039/C4cc06228K
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C24 H56 Ce N4'
_chemical_formula_weight         540.84
_chemical_name_systematic        'cerium tetrakis(diisopropylamide)'
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Heat-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-2013
_cell_angle_alpha                90
_cell_angle_beta                 108.44(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.369(13)
_cell_length_b                   9.706(7)
_cell_length_c                   17.704(10)
_cell_measurement_reflns_used    2106
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      31.1884
_cell_measurement_theta_min      2.3942
_cell_volume                     2994(3)
_computing_cell_refinement       saint
_computing_data_collection       cosmo
_computing_data_reduction        saint
_computing_molecular_graphics    ortep3
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    shelxs
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Apex II Duo'
_diffrn_measurement_method       'Omega/phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.941
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15343
_diffrn_reflns_point_group_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.705
_diffrn_reflns_theta_min         2.338
_diffrn_source                   Imus
_exptl_absorpt_coefficient_mu    1.534
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6171
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.385
_exptl_crystal_size_mid          0.348
_exptl_crystal_size_min          0.348
_exptl_transmission_factor_max   0.7459
_exptl_transmission_factor_min   0.6055
_refine_diff_density_max         1.778
_refine_diff_density_min         -2.581
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.255
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         2555
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.255
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0656
_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^)+(0.0308P)^2^+56.7282P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1503
_refine_ls_wR_factor_ref         0.1512
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2491
_reflns_number_total             2555
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc06228k2.cif
_cod_data_source_block           c
_cod_database_code               7115983
_shelx_estimated_absorpt_t_min   0.590
_shelx_estimated_absorpt_t_max   0.617
_shelxl_version_number           2013-3
_shelx_res_checksum              58722