A novel photoluminescent Cd(ii)-organic framework exhibiting rapid and efficient multi-responsive fluorescence sensing for trace amounts of Fe3+ ions and some NACs, especially for 4-nitroaniline and 2-methyl-4-nitroaniline
Ying-Jiao Yang; Meng-Jie Wang; Kou-Lin Zhang; Journal of Materials Chemistry C 4 (2016) 11404–11418; doi:10.1039/C6TC04195G

data_7235136
_publ_section_title
;
 A novel photoluminescent Cd(ii)-organic framework exhibiting rapid and
 efficient multi-responsive fluorescence sensing for trace amounts of Fe3+
 ions and some NACs, especially for 4-nitroaniline and
 2-methyl-4-nitroaniline
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              11404
_journal_page_last               11418
_journal_paper_doi               10.1039/C6TC04195G
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C17 H19 Cd N5 O5 S'
_chemical_formula_weight         517.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.6200(10)
_cell_angle_beta                 92.7750(10)
_cell_angle_gamma                100.4390(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6563(9)
_cell_length_b                   9.0640(9)
_cell_length_c                   13.2673(13)
_cell_measurement_reflns_used    7388
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5375
_cell_measurement_theta_min      2.3952
_cell_volume                     975.40(17)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'Diamond (CRYSTAL IMPACT, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6992
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  0.729
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.753
_refine_diff_density_min         -2.001
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3417
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+2.6049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                3317
_reflns_number_total             3417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-11404.cif
_cod_data_source_block           sjj3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7235136