Crystallography Open Database

Information card for entry 7219606

7219605 << 7219606 >> 7219607

Preview

Coordinates	7219606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 N9 O5.5
Calculated formula	C5 H8 N9 O5.5
Title of publication	A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties
Authors of publication	Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning
Journal of publication	RSC Adv.
Year of publication	2015
a	13.873 ± 0.009 Å
b	11.275 ± 0.007 Å
c	14.334 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2242 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219606.cif
132069	2015-02-19	cif/ Adding structures of 7219604, 7219605, 7219606, 7219607 via cif-deposit CGI script.	7219606.cif