Synthesis and Characterization of Cerium(IV) Metallocenes
Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John; Inorganics 3 (2015) 589–; doi:10.3390/inorganics3040589

data_1541911
_publ_section_title
;
 Synthesis and Characterization of Cerium(IV) Metallocenes
;
_journal_issue                   4
_journal_name_full               Inorganics
_journal_page_first              589
_journal_paper_doi               10.3390/inorganics3040589
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C30 H60 Ce O2 Si4'
_chemical_formula_weight         705.26
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_gamma                90
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_cell_length_c                   10.931(6)
_cell_measurement_reflns_used    1328
_cell_measurement_temperature    140(1)
_cell_measurement_theta_max      16.77
_cell_measurement_theta_min      2.17
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_computing_cell_refinement       'SAINT+, v. 7.66a (Bruker AXS, 2009)'
_computing_data_collection       'APEX II, v. 7.0 (Bruker AXS, 2009)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2058
_diffrn_reflns_av_unetI/netI     0.1740
_diffrn_reflns_laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.782
_diffrn_reflns_theta_min         2.037
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.874
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_exptl_crystal_colour            colorless
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_exptl_crystal_size_mid          0.100
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_refine_diff_density_min         -1.839
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7265
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_refine_ls_restrained_S_all      0.972
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0655P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7265
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        3795(3)
_cod_database_code               1541911
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.855
_shelx_estimated_absorpt_t_max   0.900
_shelx_res_checksum              35839
_shelx_hkl_checksum              58165