Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water
Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui; CrystEngComm 24 (2022) 552–559; doi:10.1039/D1CE01411K

data_7243972
_publ_section_title
;
 Rational synthesis of isomorphic rare earth metal--organic framework
 materials for simultaneous adsorption and photocatalytic degradation of
 organic dyes in water
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              552
_journal_page_last               559
_journal_paper_doi               10.1039/D1CE01411K
_journal_volume                  24
_journal_year                    2022
_chemical_formula_sum            'C17 H23 Eu N3 O11'
_chemical_formula_weight         597.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2021-10-12 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.2190(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.0401(8)
_cell_length_b                   13.9581(4)
_cell_length_c                   14.3689(4)
_cell_measurement_reflns_used    22804
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.137
_cell_measurement_theta_min      2.331
_cell_volume                     4908.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22804
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.137
_diffrn_reflns_theta_min         2.331
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.612
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_correction_T_min  0.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       block
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         2.077
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5422
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0235P)^2^+119.8487P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1182
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4301
_reflns_number_total             5422
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01411k2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7243972.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7243972
_shelx_estimated_absorpt_t_min   0.597
_shelx_estimated_absorpt_t_max   0.651
_shelxl_version_number           2014/6
_shelx_res_checksum              31542
_shelx_hkl_checksum              55228