Crystallography Open Database

Information card for entry 2311377

Preview

Coordinates	2311377.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dimethylbis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)
Formula	C12 H22 N2 O2 S4 Sn
Calculated formula	C12 H22 N2 O2 S4 Sn
SMILES	[Sn]12(SC(=[S]1)N1CCOCC1)(SC(=[S]2)N1CCOCC1)(C)C
Title of publication	Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ<sup>2</sup><i>S</i>,<i>S</i>')tin(IV): crystal structure and Hirshfeld surface analysis.
Authors of publication	Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 6
Pages of publication	842 - 848
a	10.1472 ± 0.0001 Å
b	13.6653 ± 0.0001 Å
c	13.8122 ± 0.0001 Å
α	90°
β	104.959 ± 0.001°
γ	90°
Cell volume	1850.36 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0245
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0645
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
245836 (current)	2019-12-25	cif/ Adding structures of 2311377 via cif-deposit CGI script.	2311377.cif