Incorporation of uranium(vi) into metal?organic framework solids, [UO2(C4H4O4)]�H2O, [UO2F(C5H6O4)]�2H2O, and [(UO2)1.5(C8H4O4)2]2[(CH3)2NCOH2]�H2O
Kim, Jong-Young; Norquist, Alexander J.; O'Hare, Dermot; Dalton Transactions  (2003) 2813–; doi:10.1039/b306733p

data_7013358
_publ_section_title
;
 Incorporation of uranium(vi) into metal?organic framework solids,
 [UO2(C4H4O4)]&#xFFFD;H2O, [UO2F(C5H6O4)]&#xFFFD;2H2O, and
 [(UO2)1.5(C8H4O4)2]2[(CH3)2NCOH2]&#xFFFD;H2O
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              2813
_journal_paper_doi               10.1039/b306733p
_journal_year                    2003
_chemical_formula_sum            'C10 H14 F2 O14 U2'
_chemical_formula_weight         872.27
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2003-04-02T10:44:15-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 119.577(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3572(4)
_cell_length_b                   18.1700(8)
_cell_length_c                   7.1855(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1289.58(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.084
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5396
_diffrn_reflns_theta_full        27.72
_diffrn_reflns_theta_max         27.72
_diffrn_reflns_theta_min         5.51
_exptl_absorpt_coefficient_mu    25.212
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_refine_diff_density_max         5.01
_refine_diff_density_min         -1.751
_refine_diff_density_rms         0.314
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         1533
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0599P)^2^+28.4117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1278
_reflns_number_gt                1382
_reflns_number_total             1533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b306733p.txt
_cod_data_source_block           '[UO2F(C5H6O4)]2H2O_(2)'
_cod_database_code               7013358