Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses
Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.; New Journal of Chemistry 47 (2023) 17129–17141; doi:10.1039/D3NJ02228E

data_7062682
_publ_section_title
;
 Stabilization of unusual discrete diorganotin carboxylates using the
 intramolecular coordination approach: synthesis, structure, TD-DFT, and
 Hirshfeld surface analyses
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17129
_journal_page_last               17141
_journal_paper_doi               10.1039/D3NJ02228E
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C34 H29 Cl N4 O5 Sn'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2023-05-04 deposited with the CCDC.	2023-08-17 downloaded from the CCDC.
;
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_exptl_crystal_colour            colorless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+3.9377P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4563
_reflns_number_total             5765
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj02228e2.cif
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_cod_depositor_comments
'Adding full bibliography for 7062679--7062683.cif.'
_cod_original_cell_volume        3275.2(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7062682
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.899
_shelx_res_checksum              1154