Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage
Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.; Chemical Science 5 (2014) 3204–; doi:10.1039/c4sc00996g

data_1516269
_publ_section_title
;
 Reductive silylation of a uranyl dibenzoylmethanate complex: an example
 of controlled uranyl oxo ligand cleavage
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              3204
_journal_paper_doi               10.1039/c4sc00996g
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C73 H48 B F15 O7 U'
_chemical_formula_weight         1570.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.966(2)
_cell_angle_beta                 96.391(2)
_cell_angle_gamma                115.286(2)
_cell_formula_units_Z            2
_cell_length_a                   15.1204(4)
_cell_length_b                   16.1764(5)
_cell_length_c                   16.4479(5)
_cell_measurement_temperature    100(2)
_cell_volume                     3157.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32024
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    2.672
_exptl_absorpt_correction_T_max  0.7760
_exptl_absorpt_correction_T_min  0.6171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.486
_refine_diff_density_min         -2.212
_refine_diff_density_rms         0.145
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.495(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1130
_refine_ls_number_reflns         24983
_refine_ls_number_restraints     62
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.9996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                19573
_reflns_number_total             24983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4sc00996g2.cif
_cod_data_source_block           complex_4
_cod_depositor_comments
'Adding full bibliography for 1516266--1516269.cif.'
_cod_original_cell_volume        3157.04(16)
_cod_original_sg_symbol_H-M      p1
_cod_database_code               1516269