Crystallography Open Database

Information card for entry 7240806

Preview

Coordinates	7240806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H3 Co N18
Calculated formula	C6 H3 Co N18
Title of publication	Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions
Authors of publication	Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	15
Pages of publication	5050 - 5058
a	8.616 ± 0.004 Å
b	8.888 ± 0.004 Å
c	17.715 ± 0.008 Å
α	90°
β	96.499 ± 0.009°
γ	90°
Cell volume	1347.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1007
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
257619 (current)	2020-10-06	cif/ Updating files of 7240806 Original log message: Adding full bibliography for 7240806.cif.	7240806.cif
255030	2020-08-06	cif/ Updating files of 7240806 Original log message: Adding full bibliography for 7240806.cif.	7240806.cif
253597	2020-07-01	cif/ Adding structures of 7240806 via cif-deposit CGI script.	7240806.cif