Information card for entry 4309140

Structure parameters

• Formula: C28 H46 Er K N12 O15 Ru2
• Calculated formula: C28 H16 Er K N12 O15 Ru2
• SMILES: [Ru]1([n]2ccccc2c2cccc[n]12)(C#N)(C#N)(C#N)C#[N][Er]([N]#C[Ru]1([n]2ccccc2c2cccc[n]12)(C#N)(C#N)C#N)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[K+].O.O.O.O.O.O.O.O.O
• Title of publication: Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence
• Authors of publication: Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4656 - 4665
• a: 17.226 Å
• b: 29.365 ± 0.002 Å
• c: 17.2263 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8713.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No