Information card for entry 4318164

Structure parameters

• Formula: C44 H46 N8 Ru2
• Calculated formula: C44 H46 N8 Ru2
• SMILES: [Ru]1234([Ru]([N](=C(N1C)c1ccccc1)C)(N(C(=[N]2C)c1ccccc1)C)([N](=C(N3C)c1ccccc1)C)(N(C(=[N]4C)c1ccccc1)C)C#CC#C)C#CC#C
• Title of publication: Tetrakis(N,N'-dimethylbenzamidinato)diruthenium(III) Compounds Bearing Axial Chloro and Alkynyl Ligands: A New Family of Redox Rich Diruthenium Compounds
• Authors of publication: Guolin Xu; Charles Campana; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3521 - 3527
• a: 12.5387 ± 0.0014 Å
• b: 16.1767 ± 0.0019 Å
• c: 21.032 ± 0.003 Å
• α: 90°
• β: 90.398 ± 0.002°
• γ: 90°
• Cell volume: 4265.9 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No