Information card for entry 2209376

Structure parameters

• Chemical name: <i>trans</i>-Dicyanotetrakis(1,1,3,3-tetramethylbutyl isocyanide)ruthenium(II)
• Formula: C38 H68 N6 Ru
• Calculated formula: C38 H68 N6 Ru
• SMILES: [N](#C[Ru](C#N)(C#N)(C#[N]C(C)(C)CC(C)(C)C)(C#[N]C(C)(C)CC(C)(C)C)C#[N]C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)
• Title of publication: <i>trans</i>-Dicyanotetrakis(2-isocyano-2,4,4-trimethylpentane)ruthenium(II)
• Authors of publication: Imhof, Wolfgang; Halbauer, Kathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1514 - m1516
• a: 10.3752 ± 0.0002 Å
• b: 13.6464 ± 0.0005 Å
• c: 15.3603 ± 0.0005 Å
• α: 90°
• β: 98.8 ± 0.002°
• γ: 90°
• Cell volume: 2149.17 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes