Information card for entry 7006376

Structure parameters

• Formula: C12 H12 K2 N8 O3 Ru
• Calculated formula: C12 H12 K2 N8 O3 Ru
• SMILES: [Ru]1(C#N)(C#N)(C#N)(C#N)[n]2cccnc2c2nccc[n]12.[K+].[K+].O.O.O
• Title of publication: New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.
• Authors of publication: Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 39 - 50
• a: 6.5658 ± 0.0007 Å
• b: 23.435 ± 0.002 Å
• c: 11.7021 ± 0.0012 Å
• α: 90°
• β: 93.836 ± 0.002°
• γ: 90°
• Cell volume: 1796.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No