Crystallography Open Database

Information card for entry 4086507

Preview

Coordinates	4086507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H51 Cl N4 Si2
Calculated formula	C33 H51 Cl N4 Si2
SMILES	Cl[Si](=Nc1c(cccc1C(C)C)C(C)C)(/N=C(/[Si](C)(C)C)c1ccccc1)=C1N(C(=C(N1C(C)C)C)C)C(C)C
Title of publication	Selective Silylation of Nitriles with an NHC-Stabilized Silylene to 1,2-Disilylimines and Subsequent Synthesis of Silaaziridines
Authors of publication	Li, Jianfeng; Ma, Bing; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1358
a	11.571 ± 0.004 Å
b	12.215 ± 0.004 Å
c	12.525 ± 0.004 Å
α	100.28 ± 0.013°
β	91.594 ± 0.005°
γ	101.848 ± 0.015°
Cell volume	1700.9 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183285 (current)	2016-06-07	cif/ Adding structures of 4086507, 4086508 via cif-deposit CGI script.	4086507.cif