Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives
Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing; CrystEngComm 23 (2021) 4038–4049; doi:10.1039/D1CE00392E

data_7242725
_publ_section_title
;
 Carbon dots@metal--organic frameworks as dual-functional fluorescent
 sensors for Fe3+ ions and nitro explosives
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4038
_journal_page_last               4049
_journal_paper_doi               10.1039/D1CE00392E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C14 H6 Cd N O6'
_chemical_formula_weight         396.60
_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   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2019-01-18 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.12(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.501(3)
_cell_length_b                   7.2941(15)
_cell_length_c                   15.655(3)
_cell_measurement_reflns_used    7208
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.09
_cell_volume                     1395.7(5)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.895
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.895
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7208
_diffrn_reflns_point_group_measured_fraction_full 0.895
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.094
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.593
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2264
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+4.1766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0757
_refine_ls_wR_factor_ref         0.0777
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2049
_reflns_number_total             2264
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00392e2.cif
_cod_data_source_block           t
_cod_depositor_comments
'Adding full bibliography for 7242725--7242726.cif.'
_cod_original_cell_volume        1395.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7242725
_shelxl_version_number           2014-3
_shelx_res_checksum              17163