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_4325096
_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            'C2 H10 N2 O8 P2 U'
_chemical_formula_weight         490.1
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_cell_angle_alpha                76.8500(10)
_cell_angle_beta                 75.4840(10)
_cell_angle_gamma                60.9400(10)
_cell_formula_units_Z            1
_cell_length_a                   5.57370(10)
_cell_length_b                   5.64200(10)
_cell_length_c                   9.68560(10)
_cell_measurement_temperature    293
_cell_volume                     255.718(7)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'BRUKER AXS Apex2 CCD-4K'
_diffrn_measurement_method       'phi-omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         molybdene
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19548
_diffrn_reflns_theta_full        29.1
_diffrn_reflns_theta_max         32.27
_diffrn_reflns_theta_min         2.19
_diffrn_standards_number         19542
_exptl_absorpt_coefficient_mu    16.209
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.270
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            pinkish
_exptl_crystal_density_diffrn    3.18139
_exptl_crystal_description       plate
_exptl_crystal_F_000             222
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.63
_refine_diff_density_min         -1.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.53
_refine_ls_goodness_of_fit_ref   1.53
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     69
_refine_ls_number_reflns         1820
_refine_ls_R_factor_all          0.0142
_refine_ls_R_factor_gt           0.0142
_refine_ls_shift/su_max          0.0110
_refine_ls_shift/su_mean         0.0009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0141
_refine_ls_wR_factor_ref         0.0141
_reflns_number_gt                1820
_reflns_number_total             1820
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic200345j_si_001_2.cif
_cod_data_source_block           (II)
_cod_original_formula_sum        'C2 H10 N2 O8 P2 U1'
_cod_database_code               4325096