Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium
Clément Falaise; Christophe Volkringer; Jean-François Vigier; Arnaud Beaurain; Pascal Roussel; Pierre Rabu; Thierry Loiseau; Journal of the American Chemical Society 135 (2013) 15678–15681; doi:10.1021/ja4067207

data_4120993
_publ_section_title
;
 Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15678
_journal_page_last               15681
_journal_paper_doi               10.1021/ja4067207
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C208 H198 Cl18 O112 U38'
_chemical_formula_weight         14172.92
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
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_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_a                   21.9986(3)
_cell_length_b                   21.9986(3)
_cell_length_c                   29.9603(6)
_cell_measurement_temperature    293
_cell_volume                     14498.9(4)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -38
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    21.376
_exptl_absorpt_correction_T_max  0.137
_exptl_absorpt_correction_T_min  0.0834
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Sadabs (Bruker)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.246
_exptl_crystal_description       'irregular delimited by 12 faces'
_exptl_crystal_F_000             12324
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
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_refine_diff_density_min         -2.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.32
_refine_ls_goodness_of_fit_ref   1.94
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    104
_refine_ls_number_parameters     286
_refine_ls_number_reflns         8473
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.0496
_refine_ls_shift/su_mean         0.0029
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                5704
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ja4067207_si_001.cif
_cod_data_source_block           I
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