Silver Ion-Mediated Heterometallic Three-Fold Interpenetrating Uranyl-Organic Framework.
Mei, Lei; Wu, Qun-yan; An, Shu-wen; Gao, Zeng-qiang; Chai, Zhi-fang; Shi, Wei-qun; Inorganic chemistry 54 (2015) 10934–10945; doi:10.1021/acs.inorgchem.5b01988

data_4346698
_publ_section_title
;
 Silver Ion-Mediated Heterometallic Three-Fold Interpenetrating
 Uranyl-Organic Framework.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10934
_journal_page_last               10945
_journal_paper_doi               10.1021/acs.inorgchem.5b01988
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C12 H10 Cl4 Cu N2 O7'
_chemical_formula_weight         499.56
_space_group_IT_number           60
_space_group_name_Hall           '-P 2bc 2n'
_space_group_name_H-M_alt        'P n a b'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a b'
_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                 90.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9230(14)
_cell_length_b                   14.227(3)
_cell_length_c                   20.203(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1989.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  marccd
_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  0.0421
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3341
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.669
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             996
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1782
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+4.7266P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.0981
_reflns_number_gt                1649
_reflns_number_total             1782
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01988_si_002.cif
_cod_data_source_block           Cu-2,6-DCPCA
_cod_original_sg_symbol_H-M      Pnab
_cod_database_code               4346698