Information card for entry 7000132

Structure parameters

• Common name: (Ru3(CCPhCN)2)
• Formula: C60 H40 Cl4 N14 Ru3
• Calculated formula: C60 H40 Cl4 N14 Ru3
• SMILES: c1cccc2[n]1[Ru]134([n]5ccccc5N5[Ru]6783N2c2cccc[n]2[Ru]8([n]2ccccc2N7c2cccc[n]42)([n]2ccccc52)([n]2ccccc2N6c2[n]1cccc2)C#Cc1ccc(cc1)C#N)C#Cc1ccc(cc1)C#N.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.
• Authors of publication: Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3696 - 3701
• a: 24.6541 ± 0.0009 Å
• b: 25.7043 ± 0.0009 Å
• c: 21.6051 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13691.5 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No