Crystallography Open Database

Information card for entry 7248668

Preview

Coordinates	7248668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H168 F9 N12 O15 S3 Yb
Calculated formula	C156 H168 F9 N12 O15 S3 Yb
Title of publication	Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes.
Authors of publication	Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	21
Pages of publication	15776 - 15783
a	22.207 ± 0.004 Å
b	26.8 ± 0.005 Å
c	31.519 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	18758 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.15
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
293294 (current)	2024-07-05	cif/ Updating files of 7248667, 7248668 Original log message: Adding full bibliography for 7248667--7248668.cif.	7248668.cif
291999	2024-05-23	cif/ Adding structures of 7248667, 7248668 via cif-deposit CGI script.	7248668.cif