Crystallography Open Database

Information card for entry 7251831

Preview

Coordinates	7251831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Mn N10
Calculated formula	C14 H12 Mn N10
Title of publication	Catalytic ignition of the [BMIM]DCA-H2O2 propellant with the Cu(vim)2(DCA)2 complex
Authors of publication	Zhang, Yuqi; Yao, Yuan; Dou, Peihao; Cheng, Qing; Zhang, Yanqiang
Journal of publication	RSC Advances
Year of publication	2026
Journal volume	16
Journal issue	18
Pages of publication	16748 - 16755
a	6.5511 ± 0.0007 Å
b	7.5013 ± 0.0008 Å
c	8.9897 ± 0.0008 Å
α	104.611 ± 0.008°
β	94.881 ± 0.008°
γ	95.641 ± 0.008°
Cell volume	422.63 ± 0.08 Å³
Cell temperature	117.6 ± 0.1 K
Ambient diffraction temperature	117.6 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7251831.html