Crystallography Open Database

Information card for entry 7061191

Preview

Coordinates	7061191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 N16 Na4 O12
Calculated formula	C6 H20 N16 Na4 O12
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	6.8 ± 0.0014 Å
b	7.5 ± 0.0015 Å
c	24.2 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1234.2 ± 0.4 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273402 (current)	2022-03-05	cif/ Updating files of 7061189, 7061190, 7061191, 7061192, 7061193, 7061194 Original log message: Adding full bibliography for 7061189--7061194.cif.	7061191.cif
272015	2022-01-13	cif/ Adding structures of 7061189, 7061190, 7061191, 7061192, 7061193, 7061194 via cif-deposit CGI script.	7061191.cif