3-Fold-Interpenetrated Uranium-Organic Frameworks: New Strategy for Rationally Constructing Three-Dimensional Uranyl Organic Materials
Hong-Yue Wu; Run-Xue Wang; Weiting Yang; Jinlei Chen; Zhong-Ming Sun; Jun Li; Hongjie Zhang; Inorganic Chemistry 51 (2012) 3103–3107; doi:10.1021/ic202577z

data_4328544
_publ_contact_author_address
;
 State Key Laboratory of Rare Earth Resource Utilization, 
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 
5625 Renmin Street, Changchun, Jilin 130022, P.R. China.
;
_publ_contact_author_email       szm@ciac.jl.cn
_publ_contact_author_name
;
Prof Z. M. Sun
;
_publ_section_title
;
 3-Fold-Interpenetrated Uranium-Organic Frameworks: New Strategy for
 Rationally Constructing Three-Dimensional Uranyl Organic Materials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3103
_journal_page_last               3107
_journal_paper_doi               10.1021/ic202577z
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C52 H40 O27 U3'
_chemical_formula_weight         1810.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.6560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.621(3)
_cell_length_b                   9.2925(8)
_cell_length_c                   20.4260(17)
_cell_measurement_temperature    296(2)
_cell_volume                     6144.7(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16433
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    7.968
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_F_000             3376
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.913
_refine_diff_density_min         -0.841
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0846P)^2^+4.0687P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1496
_reflns_number_gt                4080
_reflns_number_total             6023
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202577z_si_001_1.cif
_cod_data_source_block           UOF-2
_cod_database_code               4328544