Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) B-ketoiminate N,O donor complexes
David Schnaars; Enrique Batista; Andrew Gaunt; Trevor Hayton; Iain May; Sean Reilly; Brian Scott; Guang Wu; Chem.Commun. 47 (2011) 7647–; doi:10.1039/c1cc12409a

data_7106608
_publ_section_title
;
 Differences in actinide metal-ligand orbital interactions: comparison of
 U(IV) and Pu(IV) B-ketoiminate N,O donor complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              7647
_journal_paper_doi               10.1039/c1cc12409a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C58 H64 Cl2 N2 O2 U'
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_chemical_name_systematic
;
?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                65.223(2)
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_cell_length_b                   11.5941(18)
_cell_length_c                   12.512(2)
_cell_measurement_temperature    150(2)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       12
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_exptl_crystal_colour            Deep_Orange
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.38
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12409a.txt
_cod_data_source_block           e:\xray\ds-5-17\work\ds_5_17m
_cod_original_cell_volume        1306.3(4)
_cod_original_sg_symbol_H-M      P-1
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