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_4330295
_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(Nd 3+).  3(U O2 2+).  3(C10 O8 H2 4-).  12(H2 O) ;  5(H2 O)'
_chemical_formula_sum            'C30 H6 Nd2 O47 U3'
_chemical_formula_weight         2120.9
_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                69.399(3)
_cell_angle_beta                 79.959(3)
_cell_angle_gamma                62.242(2)
_cell_formula_units_Z            1
_cell_length_a                   10.8981(13)
_cell_length_b                   11.5452(14)
_cell_length_c                   13.4086(16)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    293
_cell_measurement_theta_max      32.978
_cell_measurement_theta_min      2.218
_cell_volume                     1397.4(3)
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47359
_diffrn_reflns_theta_full        32.58
_diffrn_reflns_theta_max         32.58
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    10.604
_exptl_absorpt_correction_T_max  0.7554
_exptl_absorpt_correction_T_min  0.3044
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.5195
_exptl_crystal_description       platelet
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.10
_refine_diff_density_min         -1.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.80
_refine_ls_goodness_of_fit_ref   1.62
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    12
_refine_ls_number_parameters     365
_refine_ls_number_reflns         10168
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.0283
_refine_ls_shift/su_mean         0.0009
_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          0.0418
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                7896
_reflns_number_total             10168
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic3005757_si_004.cif
_cod_data_source_block           I
_cod_database_code               4330295
_cod_database_fobs_code          4330295