Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium
Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista; Journal of the American Chemical Society 128 (2006) 12622–12623; doi:10.1021/ja064400j

data_4110947
_publ_contact_author
;
James M. Boncella
MS J514
Los Alamos National Laboratory
Los Alamos, New Mexico  87545
;
_publ_contact_author_email       boncella@lanl.gov
_publ_section_title
;
 Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12622
_journal_page_last               12623
_journal_paper_doi               10.1021/ja064400j
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C20 H31 I2 N3 O2 U'
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_chemical_name_systematic
; 
 ? 
;
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_cell_length_a                   10.2898(15)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      141(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        '< 2'
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    8.894
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_exptl_absorpt_correction_T_min  0.4150
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_exptl_crystal_colour            plates
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_exptl_crystal_description       red-orange
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_refine_diff_density_max         1.254
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_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         6093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja064400jrom20060630_125636_2.cif
_cod_data_source_block           apx165
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4110947