Information card for entry 4077271

Structure parameters

• Common name: Ru2(ap)4(C4TMS)
• Formula: C58 H54 N8 Ru2 Si2
• Calculated formula: C58 H54 N8 Ru2 Si2
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)(N(c1[n]3cccc1)c1ccccc1)(N(c1[n]4cccc1)c1ccccc1)C#CC#C[Si](C)(C)C)C#CC#C[Si](C)(C)C
• Title of publication: Ru-σ-butadiynyl Complexes of the Tetraanilinopyridinatodiruthenium Core: Formation of a Bis-adduct
• Authors of publication: Xu, Guolin; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 2400
• a: 19.811 ± 0.002 Å
• b: 11.8642 ± 0.0012 Å
• c: 23.391 ± 0.002 Å
• α: 90°
• β: 90.717 ± 0.002°
• γ: 90°
• Cell volume: 5497.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No