Crystallography Open Database

Information card for entry 4112812

Preview

Coordinates	4112812.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis[di-tert-butyl(methyl)silyl] disilene
Formula	C36 H84 Si6
Calculated formula	C36 H84 Si6
SMILES	[Si]([Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
Title of publication	Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization
Authors of publication	Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9626 - 9629
a	21.702 ± 0.001 Å
b	11.47 ± 0.001 Å
c	18.301 ± 0.0009 Å
α	90°
β	94.783 ± 0.005°
γ	90°
Cell volume	4539.7 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	295 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	0.1673
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.256
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178899 (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 4/11/28.	4112812.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112812.cif
65228	2012-09-05	cif/ Adding structures of 4112812 via cif-deposit CGI script.	4112812.cif