Crystallography Open Database

Information card for entry 7708890

Preview

Coordinates	7708890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Cl3 N S2 Sn
Calculated formula	C6 H12 Cl3 N S2 Sn
SMILES	[Sn]12(Cl)(SCC[N]2(CCS1)C)C(Cl)Cl
Title of publication	Single source precursor route to nanometric tin chalcogenides.
Authors of publication	Brune, Veronika; Raydan, Nidal; Sutorius, Anja; Hartl, Fabian; Purohit, Bhagyesh; Gahlot, Sweta; Bargiela, Pascal; Burel, Laurence; Wilhelm, Michael; Hegemann, Corinna; Atamtürk, Ufuk; Mathur, Sanjay; Mishra, Shashank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	16.8805 ± 0.0007 Å
b	11.8026 ± 0.0004 Å
c	12.5545 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2501.28 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270758 (current)	2021-11-19	cif/ Adding structures of 7708888, 7708889, 7708890 via cif-deposit CGI script.	7708890.cif