Crystallography Open Database

Information card for entry 4133685

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Structure parameters

Formula	C32 H74 N2 Si6
Calculated formula	C32 H74 N2 Si6
SMILES	[Si]([Si](C)(C)C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C(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	11.3385 ± 0.0004 Å
b	12.1541 ± 0.0004 Å
c	16.6351 ± 0.0006 Å
α	90.739 ± 0.002°
β	97.371 ± 0.002°
γ	116.989 ± 0.001°
Cell volume	2019.35 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4133685.cif
243418	2019-11-26	cif/ Adding structures of 4133681, 4133682, 4133683, 4133684, 4133685, 4133686, 4133687 via cif-deposit CGI script.	4133685.cif