Crystallography Open Database

Information card for entry 8107340

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Coordinates	8107340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 N2 S4 Sn
Calculated formula	C26 H38 N2 S4 Sn
SMILES	[Sn](SC(=S)N(Cc1ccccc1)C)(SC(=S)N(Cc1ccccc1)C)(CCCC)CCCC
Title of publication	Crystal structure of bis[benzyl(methyl)carbamodithioato-κ 2 S,S′]-di-n-butyltin(IV), C26H38N2S4Sn
Authors of publication	Abd Aziz, Nurul Amalina; Awang, Normah; Chan, Kok Meng; Kamaludin, Nurul Farahana; Mohamad Anuar, Nur Najmi; Jamaludin, Nur Atiyah Nadhrah; Tan, Yee Seng; Tiekink, Edward R. T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	15 - 18
a	9.6272 ± 0.0001 Å
b	12.1043 ± 0.0002 Å
c	13.3584 ± 0.0002 Å
α	82.296 ± 0.001°
β	86.611 ± 0.001°
γ	66.912 ± 0.001°
Cell volume	1419.02 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
284443 (current)	2023-06-12	cif/ Adding structures of 8107340 via cif-deposit CGI script.	8107340.cif