Crystallography Open Database

Information card for entry 2023455

2023454 << 2023455 >> 2023456

Preview

Coordinates	2023455.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(triphenylsulfonium) tetrachloridomercury(II) methanol monosolvate
Formula	C37 H34 Cl4 Hg O S2
Calculated formula	C37 H34 Cl4 Hg O S2
SMILES	Cl[Hg](Cl)([Cl-])[Cl-].[S+](c1ccccc1)(c1ccccc1)c1ccccc1.[S+](c1ccccc1)(c1ccccc1)c1ccccc1.CO
Title of publication	Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.
Authors of publication	Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 4
Pages of publication	358 - 363
a	9.43577 ± 0.00014 Å
b	18.0709 ± 0.0003 Å
c	21.2467 ± 0.0003 Å
α	90°
β	95.1778 ± 0.0014°
γ	90°
Cell volume	3608.05 ± 0.1 Å³
Cell temperature	99.8 ± 0.8 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299524 (current)	2025-05-03	cif/ Updating files of 2023454, 2023455, 2023456 Original log message: Adding full bibliography for 2023454--2023456.cif.	2023455.cif
298639	2025-03-28	cif/ Adding structures of 2023454, 2023455, 2023456 via cif-deposit CGI script.	2023455.cif