Highly selective and sensitive detection of Hg2+, Cr2O72−, and nitrobenzene/2,4-dinitrophenol in water via two fluorescent Cd-CPs
Wang, Xiao; Han, You; Han, Xing Xing; Hou, Xiangyang; Wang, Ji-Jiang; Fu, Feng; New Journal of Chemistry 42 (2018) 19844–; doi:10.1039/C8NJ04683B

data_7057877
_publ_section_title
;
 Highly selective and sensitive detection of Hg2+, Cr2O72&#x2212;, and
 nitrobenzene/2,4-dinitrophenol in water via two fluorescent Cd-CPs
;
_journal_issue                   24
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19844
_journal_paper_doi               10.1039/C8NJ04683B
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C24 H22 Cd N4 O4 S'
_chemical_formula_weight         574.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-16 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                89.9060(10)
_cell_angle_beta                 65.4530(10)
_cell_angle_gamma                70.3510(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0839(7)
_cell_length_b                   11.5181(8)
_cell_length_c                   11.6551(9)
_cell_measurement_reflns_used    5177
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.41
_cell_volume                     1144.50(14)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.793
_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  0.0075
_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.793
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7692
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.793
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.979
_diffrn_reflns_theta_min         2.389
_exptl_absorpt_coefficient_mu    1.085
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Face indexing'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             580
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_refine_diff_density_max         0.687
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         5787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.770
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0219
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0880
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5406
_reflns_number_total             5787
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj04683b2.cif
_cod_data_source_block           h1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7057876--7057877.cif.'
_cod_database_code               7057877
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.783
_shelx_estimated_absorpt_t_max   0.928
_shelx_res_checksum              88160