Crystallography Open Database

Information card for entry 4347783

Preview

Coordinates	4347783.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	silanetetrayltetrakis(methylene) tetracarbamate
Chemical name	silanetetrayltetrakis(methylene) tetracarbamate
Formula	C8 H16 N4 O8 Si
Calculated formula	C8 H16 N4 O8 Si
SMILES	[Si](COC(=O)N)(COC(=O)N)(COC(=O)N)COC(=O)N
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	7.374 ± 0.0004 Å
b	6.889 ± 0.0004 Å
c	26.8818 ± 0.0002 Å
α	90°
β	94.54 ± 0.006°
γ	90°
Cell volume	1361.3 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4347783.cif