Crystallography Open Database

Information card for entry 7231058

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Coordinates	7231058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 K2 N12 O8
Calculated formula	C8 K2 N12 O8
Title of publication	Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties
Authors of publication	Sun, Qi; Lin, Qiuhan; Lu, Ming
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	30
Pages of publication	4321
a	4.7645 ± 0.0006 Å
b	6.9326 ± 0.0008 Å
c	12.4985 ± 0.0014 Å
α	100.528 ± 0.004°
β	93.057 ± 0.004°
γ	108.417 ± 0.004°
Cell volume	382.35 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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