Response of a Zn(II)-based metal-organic coordination polymer towards trivalent metal ions (Al<sup>3+</sup>, Fe<sup>3+</sup> and Cr<sup>3+</sup>) probed by spectroscopic methods.
Daga, Pooja; Manna, Priyanka; Majee, Prakash; Singha, Debal Kanti; Hui, Sayani; Ghosh, Ananta Kumar; Mahata, Partha; Mondal, Sudip Kumar; Dalton transactions (Cambridge, England : 2003) 50 (2021) 7388–7399; doi:10.1039/d1dt00729g

data_7707154
_publ_section_title
;
 Response of a Zn(II)-based metal-organic coordination polymer towards
 trivalent metal ions (Al<sup>3+</sup>, Fe<sup>3+</sup> and
 Cr<sup>3+</sup>) probed by spectroscopic methods.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7388
_journal_page_last               7399
_journal_paper_doi               10.1039/d1dt00729g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C18 H13 N3 O5 S2 Zn'
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_chemical_name_common            'Zinc-Organic Compound'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-12-15 deposited with the CCDC.	2021-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'White Colour'
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_description       'Block Shaped'
_exptl_crystal_F_000             976
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_exptl_crystal_size_mid          0.100
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_refine_ls_R_factor_all          0.0571
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_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^)+(0.0645P)^2^+4.6233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3596
_reflns_number_total             4100
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00729g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7707154.cif.'
_cod_original_cell_volume        1854.0(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707154
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.832
_shelx_estimated_absorpt_t_max   0.883
_shelx_res_checksum              70459
_shelx_hkl_checksum              81744