Information card for entry 2207048

Structure parameters

• Chemical name: Tetrakis(tert-butyl isocyanide-2κC)dichloro-1κCl,3κCl-di-μ-cyano-1:3κ^2^N:C;2:3κ^2^C:N- bis[1,3(η^4^)-cycloocta-1,5-diene)dirhodium(I)ruthenium(II)
• Formula: C38 H60 Cl2 N6 Rh2 Ru
• Calculated formula: C38 H60 Cl2 N6 Rh2 Ru
• SMILES: C(#[N][Rh]123(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4)[Ru](C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(C#[N][Rh]123(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: Tetrakis(<i>tert</i>-butyl isocyanide-2κ<i>C</i>)dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-di-μ-cyano-1κ<i>N</i>:2κ<i>C</i>;2κ<i>C</i>:3κ<i>N</i>-bis[1,3(η^4^)-cycloocta-1,5-diene]dirhodium(I)ruthenium(II)
• Authors of publication: Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2130 - m2132
• a: 21.7982 ± 0.0005 Å
• b: 11.3347 ± 0.0004 Å
• c: 21.4881 ± 0.0008 Å
• α: 90°
• β: 118.189 ± 0.002°
• γ: 90°
• Cell volume: 4679.5 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No