Crystallography Open Database

Information card for entry 5000350

Preview

Coordinates	5000350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H35 Cl4 N3 O Ru S
Calculated formula	C18 H35 Cl4 N3 O Ru S
SMILES	[Ru]12(Cl)(Cl)([S](=O)(C)C)[NH](Cc3cccc([n]13)C[NH]2C(C)(C)C)C(C)(C)C.C(Cl)Cl
Title of publication	New Approach to Ru(II) Pincer Ligand Chemistry. Bis(tert-butylaminomethyl)pyridine Coordinated to Ruthenium(II)
Authors of publication	Christian Gemel; Kirsten Folting; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1593 - 1597
a	13.353 ± 0.002 Å
b	11.228 ± 0.001 Å
c	17.536 ± 0.002 Å
α	90°
β	109.3 ± 0.01°
γ	90°
Cell volume	2481.3 ± 0.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.0319
Goodness-of-fit parameter for all reflections included in the refinement	1.0201
Diffraction radiation wavelength	0.71069 Å
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/5000350.html