Information card for entry 4109252

Structure parameters

• Formula: C14 H20 Li2 N6 O6 Ru
• Calculated formula: C14 H20 Li2 N6 O6 Ru
• SMILES: c12[n]([Ru](C#N)(C#N)([n]3ccccc23)(C#N)C#N)cccc1.[Li]([OH2])[OH2].[Li]([OH2])([OH2])([OH2])[OH2]
• Title of publication: Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer
• Authors of publication: Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4014 - 4027
• a: 6.8956 ± 0.0006 Å
• b: 14.5781 ± 0.0012 Å
• c: 10.5162 ± 0.0009 Å
• α: 90°
• β: 103.531 ± 0.004°
• γ: 90°
• Cell volume: 1027.8 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No