Crystallography Open Database

Information card for entry 7054238

Preview

Coordinates	7054238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 N14 O S6 Y
Calculated formula	C46 H37 N14 O S6 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	14.789 ± 0.0009 Å
b	18.1748 ± 0.0012 Å
c	19.6738 ± 0.0012 Å
α	90°
β	106.229 ± 0.002°
γ	90°
Cell volume	5077.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
180096 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42.	7054238.cif
121737	2014-08-08	cif/ Updating files of 7054233, 7054234, 7054235, 7054236, 7054237, 7054238, 7054239 Original log message: Adding full bibliography for 7054233--7054239.cif.	7054238.cif
114960	2014-05-31	cif/ Adding structures of 7054233, 7054234, 7054235, 7054236, 7054237, 7054238, 7054239 via cif-deposit CGI script.	7054238.cif