Crystallography Open Database

Information card for entry 7061613

Preview

Coordinates	7061613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H17 Mg0.5 N10 O10
Calculated formula	C6 H17 Mg0.5 N10 O10
Title of publication	Detonation performance enhancement through a positional isomerism modification strategy
Authors of publication	Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	29
Pages of publication	13874 - 13879
a	9.323 ± 0.002 Å
b	26.924 ± 0.006 Å
c	6.725 ± 0.004 Å
α	90°
β	108.46 ± 0.04°
γ	90°
Cell volume	1601.2 ± 1.1 Å³
Cell temperature	113.9 ± 0.14 K
Ambient diffraction temperature	113.9 ± 0.14 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1533
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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