Crystallography Open Database

Information card for entry 4109874

Preview

Coordinates	4109874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H58 Si9
Calculated formula	C22 H58 Si9
SMILES	[Si]1(=[Si]([Si]21C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
Title of publication	Thermal and Photochemical Cleavage of SiSi Double Bond in Tetrasila-1,3-diene
Authors of publication	Kei Uchiyama; Selvarajan Nagendran; Shintaro Ishida; Takeaki Iwamoto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10638 - 10639
a	17.045 ± 0.003 Å
b	16.461 ± 0.003 Å
c	12.918 ± 0.002 Å
α	90°
β	91.207 ± 0.002°
γ	90°
Cell volume	3623.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178844 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109874.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109874.cif
58652	2012-05-29	cif/ Adding structures of 4109874 via cif-deposit CGI script.	4109874.cif