Crystallography Open Database

Information card for entry 2243943

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Structure parameters

Chemical name	Bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethane-1,2-diamine)mercury(II)
Formula	C12 H26 Hg N2 O2 S4
Calculated formula	C12 H26 Hg N2 O2 S4
SMILES	C(=S)(OCC)S[Hg]1([N](CC[N]1(C)C)(C)C)SC(=S)OCC
Title of publication	Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II)
Authors of publication	Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	11
a	12.235 ± 0.007 Å
b	8.017 ± 0.005 Å
c	21.251 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	2084 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
270048 (current)	2021-10-20	cif/ hkl/ Adding structures of 2243943 via cif-deposit CGI script.	2243943.cif 2243943.hkl