Information card for entry 7006375

Structure parameters

• Formula: C16 H16 K2 N6 O4 Ru
• Calculated formula: C16 H16 K2 N6 O4 Ru
• SMILES: [Ru]1([n]2cccc3c2c2[n]1cccc2cc3)(C#N)(C#N)(C#N)C#N.[K+].[K+].O.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: 10.2914 ± 0.0016 Å
• b: 30.116 ± 0.005 Å
• c: 6.6628 ± 0.0011 Å
• α: 90°
• β: 101.862 ± 0.003°
• γ: 90°
• Cell volume: 2020.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No