Crystallography Open Database

Information card for entry 7058775

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Coordinates	7058775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 Cl F2 N O4
Calculated formula	C3 H6 Cl F2 N O4
Title of publication	Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts
Authors of publication	Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	38
Pages of publication	15115
a	12.1852 ± 0.0008 Å
b	7.0366 ± 0.0003 Å
c	7.5024 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	643.27 ± 0.07 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1893
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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