Coordination polymers of uranium(iv) terephthalates.
Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry; Dalton transactions (Cambridge, England : 2003) 44 (2015) 2639–2649; doi:10.1039/c4dt02343a

data_7033103
_publ_section_title
;
 Coordination polymers of uranium(iv) terephthalates.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2639
_journal_page_last               2649
_journal_paper_doi               10.1039/c4dt02343a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C18 H20 Cl N2 O8 U'
_chemical_formula_weight         665.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                84.216(4)
_cell_angle_beta                 76.642(5)
_cell_angle_gamma                64.070(4)
_cell_formula_units_Z            2
_cell_length_a                   9.7918(7)
_cell_length_b                   9.9454(7)
_cell_length_c                   12.7361(9)
_cell_measurement_reflns_used    6537
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      23.842
_cell_measurement_theta_min      2.591
_cell_volume                     1085.25(14)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART/SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0570
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23817
_diffrn_reflns_theta_full        25.64
_diffrn_reflns_theta_max         25.64
_diffrn_reflns_theta_min         2.81
_exptl_absorpt_coefficient_mu    7.647
_exptl_absorpt_correction_T_max  0.7010
_exptl_absorpt_correction_T_min  0.4140
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            color
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4069
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0272
_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^)+(0.0268P)^2^+0.7857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                3666
_reflns_number_total             4069
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4dt02343a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7033103--7033105.cif.'
_cod_original_cell_volume        1085.25(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033103