Crystallography Open Database

Information card for entry 1557726

Preview

Coordinates	1557726.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]
Formula	C10 H17 Cl4 N2 O Ru S3
Calculated formula	C10 H17 Cl4 N2 O Ru S3
SMILES	[Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1c(scc1)C.s1c([nH+]cc1)C
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	8.0381 ± 0.0003 Å
b	8.1691 ± 0.0003 Å
c	8.3951 ± 0.0003 Å
α	85.2736 ± 0.0016°
β	71.5044 ± 0.0015°
γ	61.7748 ± 0.0014°
Cell volume	459.11 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
251676 (current)	2020-05-05	cif/ Updating files of 1557725, 1557726, 1557727 Original log message: Adding full bibliography for 1557725--1557727.cif.	1557726.cif
249994	2020-04-03	cif/ Adding structures of 1557725, 1557726, 1557727 via cif-deposit CGI script.	1557726.cif