Bis[<i>N</i>,<i>N</i>'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)
Westmoreland, Ian; Arnold, John; Acta Crystallographica Section E 62 (2006) m2303–m2304; doi:10.1107/S1600536806033198

data_2210254
_publ_section_title
Bis[<i>N</i>,<i>N</i>'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)
_journal_coeditor_code           HB2121
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2303
_journal_page_last               m2304
_journal_paper_doi               10.1107/S1600536806033198
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Fe2 U1 (C8 H13 N1 Si1)4]'
_chemical_formula_moiety         'C32 H52 Fe2 N4 Si4 U'
_chemical_formula_sum            'C32 H52 Fe2 N4 Si4 U'
_chemical_formula_weight         954.86
_chemical_name_systematic
;
Bis[N,N'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.8070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.9870(10)
_cell_length_b                   11.5384(7)
_cell_length_c                   19.4680(10)
_cell_measurement_reflns_used    5958
_cell_measurement_temperature    148.2
_cell_measurement_theta_max      24.7
_cell_measurement_theta_min      3.5
_cell_volume                     3839.7(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  TEXSAN
_computing_structure_refinement
'TEXSAN (Molecular Structure Corporation & Rigaku, 1998)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_measured_fraction_theta_full 0.9875
_diffrn_measured_fraction_theta_max 0.9875
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8606
_diffrn_reflns_theta_full        24.72
_diffrn_reflns_theta_max         24.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.105
_exptl_absorpt_correction_T_max  0.360
_exptl_absorpt_correction_T_min  0.259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1888.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     195
_refine_ls_number_reflns         2925
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0166
_refine_ls_shift/su_max          0.0148
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0232
_refine_ls_wR_factor_ref         0.0226
_reflns_number_gt                2925
_reflns_number_total             3231
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            hb2121.cif
_cod_data_source_block           II
_cod_original_cell_volume        3839.6(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210254
_cod_database_fobs_code          2210254