Ligand assisted cleavage of uranium oxo-clusters.
Nocton, Grégory; Pécaut, Jacques; Filinchuk, Yaroslav; Mazzanti, Marinella; Chemical communications (Cambridge, England) 46 (2010) 2757–2759; doi:10.1039/b926580e

data_7105440
_publ_section_title
;
 Ligand assisted cleavage of uranium oxo-clusters.
;
_journal_issue                   16
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2757
_journal_page_last               2759
_journal_paper_doi               10.1039/b926580e
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C184 H142 N2 O32 U6'
_chemical_formula_weight         4321.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.858(3)
_cell_angle_beta                 79.099(2)
_cell_angle_gamma                64.725(4)
_cell_formula_units_Z            2
_cell_length_a                   18.2263(6)
_cell_length_b                   18.9950(10)
_cell_length_c                   26.5602(7)
_cell_measurement_temperature    100(1)
_cell_volume                     8025.3(6)
_computing_cell_refinement       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_collection       'MAR345 control software (MAR, 2002)'
_computing_data_reduction        'CrysAlis (Oxford Diffraction, 2006)'
_computing_structure_refinement  'SHELXH-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'MAR345 Image plate'
_diffrn_measurement_method       \f-scan
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_source         'Beamline BM1A, SNBL, ESRF, Grenoble, France'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69408
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            98098
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.68
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.108
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS v.2.10 (Sheldrick, 2005)'
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4136
_refine_diff_density_max         10.304
_refine_diff_density_min         -5.052
_refine_diff_density_rms         0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2019
_refine_ls_number_reflns         31621
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0832
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1550P)^2^+73.1111P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2223
_refine_ls_wR_factor_ref         0.2460
_reflns_number_gt                24813
_reflns_number_total             31621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b926580e.txt
_cod_data_source_block           cif2CH3CN.cif
_cod_original_cell_volume        8025.3(5)
_cod_database_code               7105440