Crystallography Open Database

Information card for entry 7242293

Preview

Coordinates	7242293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cd Cl4 N6
Calculated formula	C26 H24 Cd Cl4 N6
SMILES	[Cd](Cl)(Cl)([Cl-])[Cl-].c1n(C)c([n+]2ccccc12)c1ccccn1.c1n(C)c([n+]2ccccc12)c1ccccn1
Title of publication	Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis
Authors of publication	Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	13
Pages of publication	7713 - 7722
a	7.5133 ± 0.0002 Å
b	15.9736 ± 0.0006 Å
c	22.5132 ± 0.0008 Å
α	90°
β	94.998 ± 0.003°
γ	90°
Cell volume	2691.64 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0788
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
262084 (current)	2021-02-19	cif/ Adding structures of 7242293, 7242294 via cif-deposit CGI script.	7242293.cif