Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.
Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner; Dalton transactions (Cambridge, England : 2003) 42 (2013) 5491–5499; doi:10.1039/c3dt33005b

data_7022785
_publ_section_title
;
 Synthesis and grafting of CAN-derived tetravalent cerium alkoxide
 silylamide precursors onto mesoporous silica MCM-41.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5491
_journal_page_last               5499
_journal_paper_doi               10.1039/c3dt33005b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C30 H78 Ce2 N2 O6 Si4'
_chemical_formula_sum            'C30 H78 Ce2 N2 O6 Si4'
_chemical_formula_weight         955.54
_chemical_name_systematic
;
ac334
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2304(16)
_cell_length_b                   18.3123(18)
_cell_length_c                   16.960(2)
_cell_measurement_reflns_used    26311
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.03
_cell_measurement_theta_min      5.79
_cell_volume                     4730.2(9)
_computing_cell_refinement       X-Area
_computing_data_collection       X-Area
_computing_data_reduction        X-Area
_computing_molecular_graphics    Ortep2
_computing_publication_material  POV-Ray
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  StoeIPDS2T
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1909
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            55312
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    2.035
_exptl_absorpt_correction_T_max  1.44821
_exptl_absorpt_correction_T_min  0.40053
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   MulAbs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.485
_refine_diff_density_min         -1.737
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         4321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0407P)^2^+15.4987P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1475
_reflns_number_gt                3137
_reflns_number_total             4321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33005b.txt
_cod_data_source_block           Compound1
_cod_original_sg_symbol_Hall     -P2ac2ab
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7022785