Crystallography Open Database

Information card for entry 4080937

Preview

Coordinates	4080937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 S2 Sn
Calculated formula	C28 H18 S2 Sn
SMILES	[Sn]1(c2c(sc3c2cccc3)c2sc3c(c12)cccc3)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Optical Properties, and Crystal Structures of Dithienostannoles
Authors of publication	Tanaka, Daiki; Ohshita, Joji; Ooyama, Yousuke; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4136
a	9.8322 ± 0.0019 Å
b	14.341 ± 0.003 Å
c	18.363 ± 0.003 Å
α	90°
β	93.38 ± 0.005°
γ	90°
Cell volume	2584.7 ± 0.8 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.2567
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178698 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/09.	4080937.cif
87955	2013-08-27	cif/ Adding structures of 4080936, 4080937 via cif-deposit CGI script.	4080937.cif