Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine
Laurent Jouffret; Murielle Rivenet; Francis Abraham; Inorganic Chemistry 50 (2011) 4619–4626; doi:10.1021/ic200345j

data_4325098
_publ_section_title
;
 Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction
 with Ethylenediamine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4619
_journal_page_last               4626
_journal_paper_doi               10.1021/ic200345j
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C4 H16 N2 O27 P4 U5'
_chemical_formula_weight         1838.2
_chemical_name_systematic        ' ?'
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_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5120(6)
_cell_length_b                   13.7953(5)
_cell_length_c                   13.0199(4)
_cell_measurement_temperature    100
_cell_volume                     2786.16(17)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  SMART-1K-CCD
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         molybdene
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         27.35
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_exptl_absorpt_coefficient_mu    29.304
_exptl_absorpt_correction_T_max  1.000
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_exptl_crystal_description       needle
_exptl_crystal_F_000             3095
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.96
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.20
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     113
_refine_ls_number_reflns         3243
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.0321
_refine_ls_shift/su_mean         0.0028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
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_reflns_number_total             3243
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic200345j_si_001_4.cif
_cod_data_source_block           (IV)
_cod_original_sg_symbol_Hall     'C -2x;-2yc;2zc'
_cod_database_code               4325098