Rational fabrication of an anionic zinc carboxylate framework as a fluorescent probe for 2,6-pyridinedicarboxylic acid.
Xie, Hui-Hui; Yu, Hao; Xu, Xiuling; Tang, Si-Fu; Dalton transactions (Cambridge, England : 2003) 54 (2024) 159–165; doi:10.1039/d4dt02529f

data_7717347
_publ_section_title
;
 Rational fabrication of an anionic zinc carboxylate framework as a
 fluorescent probe for 2,6-pyridinedicarboxylic acid.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              159
_journal_page_last               165
_journal_paper_doi               10.1039/d4dt02529f
_journal_volume                  54
_journal_year                    2024
_chemical_formula_sum            'C56 H48 N4 O24 Zn5'
_chemical_formula_weight         1487.83
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-C 2ac 2'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2024-08-14 deposited with the CCDC.	2024-10-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0354
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.118
_exptl_absorpt_correction_T_max  0.9000
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0854P)^2^+74.8320P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1683
_refine_ls_wR_factor_ref         0.1861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2384
_reflns_number_total             3070
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02529f2.cif
_cod_data_source_block           2
_cod_depositor_comments          'Adding full bibliography for 7717347.cif.'
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7717347
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