On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers
Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav; CrystEngComm 27 (2025) 64–80; doi:10.1039/D4CE00879K

data_7249602
_publ_section_title
;
 On the nature and interplay of Hg&#x22EF;O/S spodium bonding and
 O&#x22EF;S chalcogen bonding in one-dimensional phenylmercury(ii)
 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              64
_journal_page_last               80
_journal_paper_doi               10.1039/D4CE00879K
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C12 H10 Hg O3 S'
_chemical_formula_sum            'C12 H10 Hg O3 S'
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;
2024-08-03 deposited with the CCDC.	2024-11-19 downloaded from the CCDC.
;
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_diffrn_source                   'fine-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.42.95a (Rigaku Oxford Diffraction, 2023)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.185
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0301P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0750
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2393
_reflns_number_total             2707
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7249601--7249602.cif.'
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_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.189
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