Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine
Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing; CrystEngComm 25 (2023) 3222–3228; doi:10.1039/D3CE00302G

data_7246692
_publ_section_title
;
 Construction of Cd(ii)-based metal--organic frameworks incorporating
 SiF62&#x2212; as fluorescence sensors for arginine
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              3222
_journal_page_last               3228
_journal_paper_doi               10.1039/D3CE00302G
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C24 H20 Cd F6 N8 Si'
_chemical_formula_weight         674.97
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_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-17 deposited with the CCDC.	2023-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.672(8)
_cell_angle_gamma                90
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_cell_length_c                   13.080(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.29
_cell_volume                     2493.5(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11525
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         27.531
_diffrn_reflns_theta_min         2.690
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_type   none
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_exptl_crystal_description       block
_exptl_crystal_F_000             1344
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2847
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_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0328
_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^)+(0.1000P)^2^+0.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1293
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2407
_reflns_number_total             2847
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce00302g2.cif
_cod_data_source_block           t_a
_cod_depositor_comments
'Adding full bibliography for 7246692--7246693.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7246692
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              35501