Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand
Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang; RSC Advances 11 (2021) 23975–23984; doi:10.1039/D1RA03737D

data_7243163
_publ_section_title
;
 Highly sensitive detection of nitrobenzene by a series of fluorescent 2D
 zinc(ii) metal--organic frameworks with a flexible triangular ligand
;
_journal_issue                   39
_journal_name_full               'RSC Advances'
_journal_page_first              23975
_journal_page_last               23984
_journal_paper_doi               10.1039/D1RA03737D
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C34 H24 N4 O8 Zn2'
_chemical_formula_weight         747.31
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-11-25 deposited with the CCDC.	2021-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.5296(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9212(16)
_cell_length_b                   11.5181(11)
_cell_length_c                   17.0439(17)
_cell_measurement_reflns_used    4588
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.75
_cell_volume                     3011.4(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18485
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.298
_diffrn_reflns_theta_min         2.481
_exptl_absorpt_coefficient_mu    1.656
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+0.1558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.1062
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5113
_reflns_number_total             7278
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra03737d2.cif
_cod_data_source_block           t
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7243163
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              50187
_shelx_hkl_checksum              99672