Crystallography Open Database

Information card for entry 7244299

Preview

Coordinates	7244299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 F6 O8 Sc
Calculated formula	C12 H4 F6 O8 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	4.9401 ± 0.001 Å
b	15.61 ± 0.003 Å
c	18.58 ± 0.004 Å
α	90°
β	95.47 ± 0.03°
γ	90°
Cell volume	1426.3 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	7244299.cif