Information card for entry 4077270

Structure parameters

• Formula: C55 H53 N8 O2 Ru2 Si
• Calculated formula: C55 H34 N8 O2 Ru2 Si
• 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.O(C(C)=O)CC
• 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: 10.2508 ± 0.0018 Å
• b: 14.049 ± 0.002 Å
• c: 18.963 ± 0.003 Å
• α: 74.413 ± 0.003°
• β: 76.391 ± 0.003°
• γ: 83.074 ± 0.004°
• Cell volume: 2551.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No