Crystallography Open Database

Information card for entry 7059431

Preview

Coordinates	7059431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H2 N10 O9
Calculated formula	C8 H2 N10 O9
Title of publication	1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship
Authors of publication	Yan, Tingou; Cheng, Guangbin; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	16
Pages of publication	6643 - 6651
a	17.6045 ± 0.0009 Å
b	30.805 ± 0.0016 Å
c	5.0463 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2736.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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