Information card for entry 2200288

Structure parameters

• Formula: C50 H38 N2 O4 Ru2
• Calculated formula: C50 H38 N2 O4 Ru2
• SMILES: [Ru]12345(C(=O)[Ru]167([N](=C(c1c6cccc1)c1ccccc1)[C]2(=[C]3([C]4(=[C]57c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])C#[N]C(C)(C)C)(C#[O])C#[O]
• Title of publication: (<i>tert</i>-Butyl isocyanide)tetracarbonyl[<i>N</i>-(1,2,3,4-tetraphenylbutadienyl)benzophenone imine]diruthenium(I)
• Authors of publication: García-Granda, Santiago; Pérez-Priede, Mónica; Vandermaelen, Juan Francisco; Cabeza, Javier A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m174 - m175
• a: 20.212 ± 0.01 Å
• b: 11.111 ± 0.008 Å
• c: 19.362 ± 0.014 Å
• α: 90°
• β: 96.53 ± 0.13°
• γ: 90°
• Cell volume: 4320 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes