Crystallography Open Database

Information card for entry 4347786

Preview

Coordinates	4347786.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sila-PETNC
Chemical name	Tetrakis(nitrocarbamoylmethyl)silane
Formula	C8 H12 N8 O16 Si
Calculated formula	C8 H12 N8 O16 Si
SMILES	[Si](COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)COC(=O)NN(=O)=O
Title of publication	Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.
Authors of publication	Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4683 - 4692
a	10.0675 ± 0.0004 Å
b	10.0675 ± 0.0004 Å
c	9.7196 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	985.13 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
232500 (current)	2019-11-23	cif/ Adding structures of 4347781, 4347782, 4347783, 4347784, 4347785, 4347786, 4347787 via cif-deposit CGI script.	4347786.cif