Information card for entry 4109249

Structure parameters

• Formula: C14 H14 K2 N6 O3 Ru
• Calculated formula: C14 H14 K2 N6 O3 Ru
• SMILES: N#C[Ru]1([n]2c(c3[n]1cccc3)cccc2)(C#N)(C#N)C#N.O.O.O.[K+].[K+]
• 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: 7.537 ± 0.0008 Å
• b: 9.9846 ± 0.0011 Å
• c: 13.435 ± 0.002 Å
• α: 103.383 ± 0.007°
• β: 94.459 ± 0.007°
• γ: 106.479 ± 0.005°
• Cell volume: 932 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0638
• 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 Fobs: No