Crystallography Open Database

Information card for entry 7061190

Preview

Coordinates	7061190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 K0.5 N8 O Rb1.5
Calculated formula	C3 K0.499 N8 O Rb1.501
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	4.4887 ± 0.0009 Å
b	7.571 ± 0.0015 Å
c	12.714 ± 0.003 Å
α	97.31 ± 0.03°
β	92.74 ± 0.03°
γ	106.32 ± 0.03°
Cell volume	409.7 ± 0.17 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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