Crystallography Open Database

Information card for entry 4133682

Preview

Coordinates	4133682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H56 Si6
Calculated formula	C21 H56 Si6
SMILES	[Si]([SiH2][Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.
Authors of publication	Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	34
Pages of publication	13536 - 13546
a	9.4966 ± 0.0003 Å
b	13.7852 ± 0.0005 Å
c	24.0165 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3144.06 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
243418 (current)	2019-11-26	cif/ Adding structures of 4133681, 4133682, 4133683, 4133684, 4133685, 4133686, 4133687 via cif-deposit CGI script.	4133682.cif