A dual-function europium sulfite–oxalate complex for proton conduction and selection of Fe3+ ions
Yuan, Yue; Huang, Liangliang; Lu, Yang; Shao, Xin; Bi, Yanfeng; CrystEngComm 27 (2025) 4844–4850; doi:10.1039/D5CE00458F

data_7250428
_publ_section_title
;
 A dual-function europium sulfite--oxalate complex for proton conduction
 and selection of Fe3+ ions
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              4844
_journal_page_last               4850
_journal_paper_doi               10.1039/D5CE00458F
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C2 H4 Eu Na O9 S'
_chemical_formula_weight         379.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-03-25 deposited with the CCDC.	2025-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.415(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5974(9)
_cell_length_b                   13.245(2)
_cell_length_c                   8.8593(13)
_cell_measurement_reflns_used    6668
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.3546
_cell_measurement_theta_min      2.7677
_cell_volume                     773.46(19)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9382
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.366
_diffrn_reflns_theta_min         3.076
_exptl_absorpt_coefficient_mu    8.463
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.255
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0172
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0162P)^2^+1.1630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0393
_refine_ls_wR_factor_ref         0.0398
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1362
_reflns_number_total             1406
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce00458f2.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments          'Adding full bibliography for 7250428.cif.'
_cod_original_cell_volume        773.49(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250428
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.327
_shelx_estimated_absorpt_t_max   0.345
_shelx_res_checksum              40141