Dimensional regulation of lanthanide metal-organic frameworks and their application in bacterial detection.
Gao, Yifan; Gu, Zhizhuo; Sun, Xiaoling; Pang, Jiaying; Gong, Liaokuo; Xia, Lian; Qu, Fengli; Chemical communications (Cambridge, England) 60 (2024) 10684–10687; doi:10.1039/d4cc02991g

data_7133619
_publ_section_title
;
 Dimensional regulation of lanthanide metal-organic frameworks and their
 application in bacterial detection.
;
_journal_issue                   77
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10684
_journal_page_last               10687
_journal_paper_doi               10.1039/d4cc02991g
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C29 H26 Cl Eu3 N4 O25'
_chemical_formula_weight         1321.87
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-21 deposited with the CCDC.	2024-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.899(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8426(9)
_cell_length_b                   14.2179(11)
_cell_length_c                   24.756(2)
_cell_measurement_temperature    296(2)
_cell_volume                     4118.2(6)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            63493
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.510
_diffrn_reflns_theta_min         2.495
_exptl_absorpt_coefficient_mu    4.674
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       0.00021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         10301
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0339
_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^)+(0.0224P)^2^+7.3898P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0672
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7719
_reflns_number_total             10301
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02991g2.cif
_cod_data_source_block           x
_cod_depositor_comments          'Adding full bibliography for 7133619.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7133619
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.335
_shelx_estimated_absorpt_t_max   0.455
_shelx_res_checksum              68717
_shelx_hkl_checksum              84523