Anion-controlled Zn(II) Coordination Polymers with 1-(tetrazo-5-yl)-3-(triazo-1-yl) benzene as an Assembling Ligand: Synthesis, Characterization, and Efficient Detection of Tryptophan in Water
Sun, Hanxu; Zhou, Jie; Zhang, Zhen; He, Mei; He, Liancheng; Du, Lin; Xie, Mingjin; Zhao, Qi-Hua; Dalton Transactions  (2021) –; doi:10.1039/D1DT03045K

data_7708809
_publ_section_title
;
 Anion-controlled Zn(II) Coordination Polymers with
 1-(tetrazo-5-yl)-3-(triazo-1-yl) benzene as an Assembling Ligand:
 Synthesis, Characterization, and Efficient Detection of Tryptophan in
 Water
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03045K
_journal_year                    2021
_chemical_formula_sum            'C9 H6.5 N7.5 O2 Zn'
_chemical_formula_weight         317.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2020-12-24 deposited with the CCDC.	2021-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.7590(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.4732(4)
_cell_length_b                   7.4234(2)
_cell_length_c                   19.6348(5)
_cell_measurement_reflns_used    5709
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.3924
_cell_measurement_theta_min      3.0727
_cell_volume                     2147.86(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.991
_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  0.0309
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10225
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.140
_diffrn_reflns_theta_min         2.765
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.302
_exptl_absorpt_correction_T_max  0.656
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.961
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         1909
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0232
_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^)+(0.0249P)^2^+2.3363P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0536
_refine_ls_wR_factor_ref         0.0564
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1720
_reflns_number_total             1909
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03045k2.cif
_cod_data_source_block           1_CCDC1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C9 H6.50 N7.50 O2 Zn'
_cod_database_code               7708809
_shelx_estimated_absorpt_t_min   0.608
_shelx_estimated_absorpt_t_max   0.656
_shelxl_version_number           2014-3
_shelx_res_checksum              53351
_shelx_hkl_checksum              87682