Crystallography Open Database

Information card for entry 7233848

Preview

Coordinates	7233848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 N10 Ni O10
Calculated formula	C5 H16 N10 Ni O10
Title of publication	Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties
Authors of publication	Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	42
Pages of publication	6452
a	9.6991 ± 0.0019 Å
b	14.573 ± 0.003 Å
c	11.082 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1566.4 ± 0.5 Å³
Cell temperature	153 ± 2 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	0.0427
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223555 (current)	2019-11-07	cif/ Updating files of 7233844, 7233845, 7233846, 7233847, 7233848, 7233849 Original log message: Adding full bibliography for 7233844--7233849.cif.	7233848.cif
218294	2019-09-15	cif/ Adding structures of 7233844, 7233845, 7233846, 7233847, 7233848, 7233849 via cif-deposit CGI script.	7233848.cif