Crystallography Open Database

Information card for entry 7061192

Preview

Coordinates	7061192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H2 K2 N8 O2
Calculated formula	C3 H2 K2 N8 O2
Title of publication	Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition
Authors of publication	Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4462 - 4469
a	7.1376 ± 0.0014 Å
b	17.029 ± 0.003 Å
c	7.6232 ± 0.0015 Å
α	90°
β	111.38 ± 0.03°
γ	90°
Cell volume	862.8 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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