Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System.
Falaise, Clément; Charles, Jean-Sébastien; Volkringer, Christophe; Loiseau, Thierry; Inorganic chemistry 54 (2015) 2235–; doi:10.1021/ic502725y

data_4342379
_publ_section_title
;
 Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal
 DMF/H2O System.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2235
_journal_paper_doi               10.1021/ic502725y
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C16 H8 O8 Th'
_chemical_formula_weight         560.26
_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                 114.4570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5931(2)
_cell_length_b                   18.0521(3)
_cell_length_c                   9.1948(2)
_cell_measurement_reflns_used    8166
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.235
_cell_measurement_theta_min      2.2355
_cell_volume                     1751.62(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15549
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    8.552
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5794
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.125
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.106
_exptl_crystal_size_min          0.071
_refine_diff_density_max         1.152
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.459
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.303
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         2193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.303
_refine_ls_R_factor_all          0.0173
_refine_ls_R_factor_gt           0.0141
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0376
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                2091
_reflns_number_total             2193
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic502725y_si_003.cif
_cod_data_source_block           thbdc
_cod_depositor_comments          'Adding full bibliography for 4342379.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4342379