One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers
Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna; Journal of Solid State Chemistry 305 (2022) 122705–; doi:10.1016/j.jssc.2021.122705

data_1566063
_publ_section_title
;
 One amino-functionalized luminescence sensor demonstrating high
 sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its
 luminescent mixed matrix membranes and test papers
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              122705
_journal_paper_doi               10.1016/j.jssc.2021.122705
_journal_volume                  305
_journal_year                    2022
_chemical_formula_sum            'C20 H17 N3 O4 Zn'
_chemical_formula_weight         428.73
_space_group_crystal_system      tetragonal
_space_group_IT_number           78
_space_group_name_Hall           'P 4cw'
_space_group_name_H-M_alt        'P 43'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1020(9)
_cell_length_b                   9.1020(9)
_cell_length_c                   24.600(2)
_cell_measurement_reflns_used    3191
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5605
_cell_measurement_theta_min      2.3835
_cell_volume                     2038.0(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0761
_diffrn_reflns_av_unetI/netI     0.1100
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            9890
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.238
_exptl_absorpt_coefficient_mu    1.234
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.819
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.16(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         3559
_refine_ls_number_restraints     85
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.1556
_refine_ls_R_factor_gt           0.0968
_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^)+(0.0992P)^2^+6.6884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2219
_refine_ls_wR_factor_ref         0.2461
_reflns_Friedel_coverage         0.932
_reflns_Friedel_fraction_full    0.981
_reflns_Friedel_fraction_max     0.981
_reflns_number_gt                2245
_reflns_number_total             3559
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2022-305-122705.cif
_cod_data_source_block           200618a
_cod_original_cell_volume        2038.0(4)
_cod_database_code               1566063
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.764
_shelx_estimated_absorpt_t_max   0.930
_shelx_res_checksum              96806
_shelx_hkl_checksum              21239