Crystallography Open Database

Information card for entry 7054354

Preview

Coordinates	7054354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N7 O4 S3 Y
Calculated formula	C25 H28 N7 O4 S3 Y
Title of publication	Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine
Authors of publication	Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	8
Pages of publication	3803
a	13.6795 ± 0.0005 Å
b	14.0922 ± 0.0006 Å
c	15.6687 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3020.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0937
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7054233
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054354.html