Crystallography Open Database

Information card for entry 7219604

7219603 << 7219604 >> 7219605

Preview

Coordinates	7219604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 N8 O11
Calculated formula	C6 H2 N8 O11
SMILES	C(c1c(Oc2c(C(N(=O)=O)N(=O)=O)non2)non1)(N(=O)=O)N(=O)=O
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	14.974 ± 0.003 Å
b	14.968 ± 0.003 Å
c	11.822 ± 0.002 Å
α	90°
β	99.26 ± 0.003°
γ	90°
Cell volume	2615.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
182221 (current)	2016-04-20	cif/7 Fixing Z values and formulae	7219604.cif
180527	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219604.cif
132069	2015-02-19	cif/ Adding structures of 7219604, 7219605, 7219606, 7219607 via cif-deposit CGI script.	7219604.cif