Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers
Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau; Inorganic Chemistry 51 (2012) 9610–9618; doi:10.1021/ic3005757

data_4330294
_publ_section_title
;
 Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers
 with Aromatic Polycarboxylates Linkers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9610
_journal_page_last               9618
_journal_paper_doi               10.1021/ic3005757
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'2(Ce 3+).  3(U O2 2+).  3(C10 O8 H2 4-).  12(H2 O) ;  5(H2 O)'
_chemical_formula_sum            'C30 H6 Ce2 O47 U3'
_chemical_formula_weight         2112.7
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.5020(5)
_cell_angle_beta                 80.0490(6)
_cell_angle_gamma                62.2530(5)
_cell_formula_units_Z            1
_cell_length_a                   10.9229(2)
_cell_length_b                   11.5371(3)
_cell_length_c                   13.4516(3)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    293
_cell_measurement_theta_max      31.496
_cell_measurement_theta_min      2.642
_cell_volume                     1405.14(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37593
_diffrn_reflns_theta_full        30.98
_diffrn_reflns_theta_max         30.98
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    10.318
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.4958
_exptl_crystal_description       palet
_exptl_crystal_F_000             954
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.04
_refine_diff_density_max         5.77
_refine_diff_density_min         -4.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.51
_refine_ls_goodness_of_fit_ref   2.38
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    13
_refine_ls_number_parameters     364
_refine_ls_number_reflns         8899
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.0395
_refine_ls_shift/su_mean         0.0016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0500
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                7872
_reflns_number_total             8899
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic3005757_si_003.cif
_cod_data_source_block           I
_cod_database_code               4330294
_cod_database_fobs_code          4330294