Crystallography Open Database

Information card for entry 4122593

Preview

Coordinates	4122593.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,4,4-Tetra-tert-butyl-2,2,3,3-tetrachloro-5,5,6,6-tetramethylcyclohexasilane
Formula	C20 H48 Cl4 Si6
Calculated formula	C20 H48 Cl4 Si6
SMILES	[Si]1([Si]([Si]([Si]([Si]([Si]1(C(C)(C)C)C(C)(C)C)(Cl)Cl)(Cl)Cl)(C(C)(C)C)C(C)(C)C)(C)C)(C)C
Title of publication	Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.
Authors of publication	Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	37
Pages of publication	12896 - 12898
a	9.1903 ± 0.0005 Å
b	21.5113 ± 0.0011 Å
c	16.6086 ± 0.001 Å
α	90°
β	96.652 ± 0.0008°
γ	90°
Cell volume	3261.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0444
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.28
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
179027 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/25.	4122593.cif
127072	2014-11-12	cif/ Updating files of 4122592, 4122593 Original log message: Adding full bibliography for 4122592--4122593.cif.	4122593.cif
123554	2014-09-08	cif/ Adding structures of 4122592, 4122593 via cif-deposit CGI script.	4122593.cif