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_7115984
_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            'C40 H96 Ce2 N24'
_chemical_formula_weight         1193.64
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 107.8020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.6938(4)
_cell_length_b                   11.3429(2)
_cell_length_c                   23.4180(4)
_cell_measurement_reflns_used    1097
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.1034
_cell_measurement_theta_min      2.0066
_cell_volume                     5739.48(18)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999S
_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  0.0630
_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            86052
_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         30.518
_diffrn_reflns_theta_min         1.500
_diffrn_source                   Imus
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.800
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         17540
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000S
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0227P)^2^+1.5911P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0648
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13496
_reflns_number_total             17540
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc06228k2.cif
_cod_data_source_block           mo_da108b_0m
_cod_original_cell_volume        5739.47(18)
_cod_database_code               7115984
_shelxl_version_number           2013-3
_shelx_res_checksum              60206