Information card for entry 7006377

Structure parameters

• Formula: C20 H16 K2 N7 O1.5 Ru
• Calculated formula: C20 H14 K2 N7 O1.5 Ru
• SMILES: [Ru]1(C#N)(C#N)(C#N)(C#N)[n]2c(cccc2)c2[n]1c(ccc2)c1ncccc1.[K+].[K+].CO.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: 17.648 ± 0.003 Å
• b: 8.9779 ± 0.0016 Å
• c: 29.053 ± 0.006 Å
• α: 90°
• β: 105.468 ± 0.003°
• γ: 90°
• Cell volume: 4436.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No