Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction
Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.; CrystEngComm 23 (2021) 119–130; doi:10.1039/D0CE01478H

data_7241466
_publ_section_title
;
 Experimental and computational evidence for a stabilising
 C--Cl(lone-pair)&#x22EF;\p(chelate-ring) interaction
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              119
_journal_page_last               130
_journal_paper_doi               10.1039/D0CE01478H
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C19 H22 Cl3 N S2 Sn'
_chemical_formula_sum            'C19 H22 Cl3 N S2 Sn'
_chemical_formula_weight         553.53
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2020-10-08 deposited with the CCDC.	2020-11-02 downloaded from the CCDC.
;
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'ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006)'
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.5340P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7241465--7241470.cif.'
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