Crystallography Open Database

Information card for entry 7242294

Preview

Coordinates	7242294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cd Cl4 N4
Calculated formula	C16 H18 Cd Cl4 N4
SMILES	c1n(C)c[n+]2ccccc12.c1n(C)c[n+]2ccccc12.[Cd](Cl)(Cl)([Cl-])[Cl-]
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	9.4184 ± 0.0003 Å
b	10.7646 ± 0.0004 Å
c	10.7332 ± 0.0004 Å
α	99.055 ± 0.003°
β	110.834 ± 0.004°
γ	90.861 ± 0.003°
Cell volume	1001.39 ± 0.07 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	0.056
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
262084 (current)	2021-02-19	cif/ Adding structures of 7242293, 7242294 via cif-deposit CGI script.	7242294.cif