Crystallography Open Database

Information card for entry 7240908

Preview

Coordinates	7240908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl4 N4 Zn
Calculated formula	C16 H18 Cl4 N4 Zn
SMILES	c1n(C)c[n+]2ccccc12.c1n(C)c[n+]2ccccc12.[Zn](Cl)(Cl)([Cl-])[Cl-]
Title of publication	Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions
Authors of publication	Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.
Journal of publication	CrystEngComm
Year of publication	2020
a	9.3908 ± 0.0003 Å
b	10.6494 ± 0.0004 Å
c	10.7328 ± 0.0003 Å
α	99.224 ± 0.003°
β	111.029 ± 0.003°
γ	91.986 ± 0.003°
Cell volume	983.95 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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

Version history

Revision	Date	Message	Files
254452 (current)	2020-07-22	cif/ Adding structures of 7240908, 7240909, 7240910 via cif-deposit CGI script.	7240908.cif