Crystal Growth and First Crystallographic Characterization of Mixed Uranium(IV)-Plutonium(III) Oxalates
Christelle Tamain; Bénédicte Arab Chapelet; Murielle Rivenet; Francis Abraham; Richard Caraballo; Stéphane Grandjean; Inorganic Chemistry 52 (2013) 4941–4949; doi:10.1021/ic302587t

data_4334606
_publ_section_title
;
 Crystal Growth and First Crystallographic Characterization of Mixed
 Uranium(IV)-Plutonium(III) Oxalates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4941
_journal_page_last               4949
_journal_paper_doi               10.1021/ic302587t
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C10 N0 O20 Pu0.7 U1.3'
_chemical_formula_weight         920.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.158(2)
_cell_length_b                   11.158(2)
_cell_length_c                   6.4000(10)
_cell_measurement_reflns_used    4417
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.53
_cell_measurement_theta_min      5.29
_cell_volume                     690.1(2)
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0097
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5668
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.58
_diffrn_reflns_theta_min         5.29
_exptl_absorpt_coefficient_mu    9.346
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5326
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.2139
_exptl_crystal_description       'hexagonal tubes'
_exptl_crystal_F_000             405
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         4.13
_refine_diff_density_min         -1.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.85
_refine_ls_goodness_of_fit_ref   1.85
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_constraints    3
_refine_ls_number_parameters     19
_refine_ls_number_reflns         318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.0018
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0525
_refine_ls_wR_factor_ref         0.0525
_reflns_number_gt                318
_reflns_number_total             318
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic302587t_si_003.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 6;-2'
_cod_database_code               4334606
_cod_database_fobs_code          4334606