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_4334605
_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            'C4 H11 N0.5 O12.5 Pu0.5 U0.5'
_chemical_formula_weight         507.1
_chemical_name_systematic        ' ?'
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.856(2)
_cell_length_b                   8.856(2)
_cell_length_c                   7.896(1)
_cell_measurement_reflns_used    3983
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      5.16
_cell_volume                     619.3(2)
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.98
_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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0121
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4940
_diffrn_reflns_theta_full        26.56
_diffrn_reflns_theta_max         26.8
_diffrn_reflns_theta_min         5.16
_exptl_absorpt_coefficient_mu    9.275
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4732
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            grey-purple
_exptl_crystal_density_diffrn    2.7188
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             441
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.01
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.04
_refine_ls_goodness_of_fit_ref   2.02
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_constraints    13
_refine_ls_number_parameters     42
_refine_ls_number_reflns         637
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0192
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.0079
_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          0.0263
_refine_ls_wR_factor_ref         0.0264
_reflns_number_gt                618
_reflns_number_total             637
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic302587t_si_002.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4334605
_cod_database_fobs_code          4334605