Crystallography Open Database

Information card for entry 4117839

Preview

Coordinates	4117839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 Br2 S2 Si
Calculated formula	C48 H50 Br2 S2 Si
SMILES	Br[Si](Br)(Sc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Sc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Isolation of a Stable, Acyclic, Two-Coordinate Silylene
Authors of publication	Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6504 - 6507
a	16.0546 ± 0.0008 Å
b	14.7263 ± 0.0008 Å
c	18.1452 ± 0.0009 Å
α	90°
β	91.723 ± 0.001°
γ	90°
Cell volume	4288 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.0402
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178949 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/78.	4117839.cif
74965	2013-03-05	cif/ Adding structures of 4117839 via cif-deposit CGI script.	4117839.cif