Crystallography Open Database

Information card for entry 7244303

Preview

Coordinates	7244303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H8 F12 O16 Sc2
Calculated formula	C24 H8 F12 O16 Sc2
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	5.0987 ± 0.001 Å
b	15.675 ± 0.003 Å
c	20.124 ± 0.004 Å
α	67.45 ± 0.03°
β	86.97 ± 0.03°
γ	89.01 ± 0.03°
Cell volume	1483.3 ± 0.6 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	0.1078
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.9626 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	7244303.cif