Crystallography Open Database

Information card for entry 4080936

Preview

Coordinates	4080936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 S2 Si2 Sn
Calculated formula	C26 H30 S2 Si2 Sn
SMILES	[Sn]1(c2c(sc([Si](C)(C)C)c2)c2sc([Si](C)(C)C)cc12)(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	12.3622 ± 0.0013 Å
b	9.7428 ± 0.0009 Å
c	23.458 ± 0.003 Å
α	90°
β	92.106 ± 0.003°
γ	90°
Cell volume	2823.4 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4080936.cif
87955	2013-08-27	cif/ Adding structures of 4080936, 4080937 via cif-deposit CGI script.	4080936.cif