Luminescent microporous metal‒organic framework with functional Lewis basic sites on the pore surface: Quantifiable evaluation of luminescent sensing mechanisms towards Fe3+
Jin, Jun-Cheng; Guo, Rui-Li; Zhang, Wen-Yan; Jiang, Chen; Wang, Yao-Yu; Journal of Solid State Chemistry 243 (2016) 253–258; doi:10.1016/j.jssc.2016.05.021

data_1561365
_publ_section_title
;
 Luminescent microporous metal--organic framework with functional Lewis
 basic sites on the pore surface: Quantifiable evaluation of luminescent
 sensing mechanisms towards Fe3+
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               258
_journal_paper_doi               10.1016/j.jssc.2016.05.021
_journal_volume                  243
_journal_year                    2016
_chemical_formula_sum            'C23 H15 N3 O5 Zn'
_chemical_formula_weight         478.75
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6199(9)
_cell_length_b                   14.7172(14)
_cell_length_c                   18.3974(18)
_cell_measurement_temperature    293(2)
_cell_volume                     2604.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14071
_diffrn_reflns_theta_full        27.22
_diffrn_reflns_theta_max         27.22
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  0.8854
_exptl_absorpt_correction_T_min  0.8394
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.926
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     166
_refine_ls_number_reflns         2979
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1496P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2153
_refine_ls_wR_factor_ref         0.2247
_reflns_number_gt                2206
_reflns_number_total             2979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-243-253.cif
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      pbcm
_cod_database_code               1561365