Crystallography Open Database

Information card for entry 7233849

Preview

Coordinates	7233849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H18 Fe N10 O13
Calculated formula	C5 H18 Fe N10 O13
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	8.4366 ± 0.0017 Å
b	9.839 ± 0.002 Å
c	20.798 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1726.4 ± 0.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163.15 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
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.	7233849.cif
218294	2019-09-15	cif/ Adding structures of 7233844, 7233845, 7233846, 7233847, 7233848, 7233849 via cif-deposit CGI script.	7233849.cif