Crystallography Open Database

Information card for entry 4109873

Preview

Coordinates	4109873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H98 Si14
Calculated formula	C38 H98 Si14
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	11.752 ± 0.004 Å
b	20.105 ± 0.007 Å
c	25.035 ± 0.009 Å
α	97.411 ± 0.007°
β	94.372 ± 0.006°
γ	97.689 ± 0.007°
Cell volume	5787 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4109873.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109873.cif
58651	2012-05-29	cif/ Adding structures of 4109873 via cif-deposit CGI script.	4109873.cif