Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine
Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing; CrystEngComm 23 (2021) 3167–3174; doi:10.1039/D1CE00245G

data_7242523
_publ_section_title
;
 Highly efficient fluorescent chemosensor for nitro antibiotic detection
 based on luminescent coordination polymers with
 2,6-di(4-carboxyphenyl)pyrazine
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3167
_journal_page_last               3174
_journal_paper_doi               10.1039/D1CE00245G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C21 H19 N3 O6 Zn'
_chemical_formula_weight         474.76
_chemical_name_common            Cp-1
_chemical_name_systematic        1
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-12-31 deposited with the CCDC.	2021-03-25 downloaded from the CCDC.
;
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_cell_measurement_theta_min      4.2320
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_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
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_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_l_max       14
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        67.072
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_exptl_absorpt_coefficient_mu    2.163
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.450
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         3452
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0301
_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^)+(0.0407P)^2^+1.0121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0792
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3392
_reflns_number_total             3452
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00245g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7242523--7242525.cif.'
_cod_original_cell_volume        973.73(5)
_cod_database_code               7242523
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_shelx_res_checksum              56273
_shelx_hkl_checksum              85680