Two 3D network complexes of Y(III) and Ce(III) with 2-fold interpenetration and reversible desorption‒adsorption behavior of lattice water
Chu, Wenjuan; He, Yong; Zhao, Qinghuan; Fan, Yaoting; Hou, Hongwei; Journal of Solid State Chemistry 183 (2010) 2298–2304; doi:10.1016/j.jssc.2010.07.043

data_1563499
_publ_section_title
;
 Two 3D network complexes of Y(III) and Ce(III) with 2-fold
 interpenetration and reversible desorption--adsorption behavior of
 lattice water
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2298
_journal_page_last               2304
_journal_paper_doi               10.1016/j.jssc.2010.07.043
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'C15 H32 N12 O13 S3 Y'
_chemical_formula_weight         773.62
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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                69.96(3)
_cell_angle_beta                 85.42(3)
_cell_angle_gamma                86.41(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4609(19)
_cell_length_b                   11.458(2)
_cell_length_c                   14.593(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1480.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16244
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    2.262
_exptl_absorpt_correction_T_max  0.6604
_exptl_absorpt_correction_T_min  0.6604
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         5803
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0475
_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^)+(0.0535P)^2^+1.0827P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                4811
_reflns_number_total             5803
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-2298.cif
_cod_data_source_block           b
_cod_original_cell_volume        1480.4(5)
_cod_database_code               1563499