Crystallography Open Database

Information card for entry 7244300

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Coordinates	7244300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 F6 O11 Sc
Calculated formula	C12 H10 F6 O11 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	4.79757 ± 0.00017 Å
b	10.087 ± 0.0004 Å
c	18.1374 ± 0.0007 Å
α	80.387 ± 0.003°
β	84.542 ± 0.003°
γ	88.51 ± 0.003°
Cell volume	861.43 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0432
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
272261 (current)	2022-01-27	cif/ Adding structures of 7244299, 7244300, 7244301, 7244302, 7244303, 7244304, 7244305 via cif-deposit CGI script.	7244300.cif