Crystallography Open Database

Information card for entry 7250106

Preview

Coordinates	7250106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 N10 O
Calculated formula	C3 H8 N10 O
Title of publication	Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole
Authors of publication	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	16
Pages of publication	2570 - 2576
a	6.5314 ± 0.0004 Å
b	25.0039 ± 0.0017 Å
c	9.2895 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1517.07 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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