Crystallography Open Database

Information card for entry 1557727

Preview

Coordinates	1557727.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether
Formula	C9.44 H19.44 Cl4 N4 O1.78 Ru S3
Calculated formula	C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3
Title of publication	Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.
Authors of publication	Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.
Journal of publication	Metallomics : integrated biometal science
Year of publication	2020
Journal volume	12
Journal issue	4
Pages of publication	491 - 503
a	10.805 ± 0.0006 Å
b	10.9929 ± 0.0006 Å
c	17.0331 ± 0.001 Å
α	90°
β	101.318 ± 0.004°
γ	90°
Cell volume	1983.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0339
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
251676 (current)	2020-05-05	cif/ Updating files of 1557725, 1557726, 1557727 Original log message: Adding full bibliography for 1557725--1557727.cif.	1557727.cif
249994	2020-04-03	cif/ Adding structures of 1557725, 1557726, 1557727 via cif-deposit CGI script.	1557727.cif