Crystallography Open Database

Information card for entry 7244304

Preview

Coordinates	7244304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 F8 K O17 Sc
Calculated formula	C16 H18 F8 K O17 Sc
Title of publication	Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand
Authors of publication	Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.
Journal of publication	CrystEngComm
Year of publication	2022
a	8.9823 ± 0.0002 Å
b	11.4355 ± 0.0004 Å
c	48.3424 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4965.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272261 (current)	2022-01-27	cif/ Adding structures of 7244299, 7244300, 7244301, 7244302, 7244303, 7244304, 7244305 via cif-deposit CGI script.	7244304.cif