Information card for entry 4089381

Structure parameters

• Common name: unimc16
• Formula: C26 H26 Ru2
• Calculated formula: C26 H26 Ru2
• SMILES: [Ru]123456789%10[cH]%11[cH]1[cH]2[cH]3[c]15[c]4%11[cH]2[Ru]345%11%12%13([cH]1[cH]3[cH]24)[c]12[c]5([cH]%11[cH]%12[cH]%131)C([c]16[cH]%10[cH]9[cH]8[c]71C2(C)C)(C)C
• Title of publication: Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand
• Authors of publication: Salembier, Hélori; Mauldin, Joshua; Hammond, Tom; Wallace, Rodney; Alqassab, Essa; Hall, Michael B.; Pérez, Lisa M.; Chen, Yuen-Jing Alexis; Turner, Katherine E.; Bockoven, Eric; Brennessel, William; Chin, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4838
• a: 8.0897 ± 0.0009 Å
• b: 16.2936 ± 0.0018 Å
• c: 15.149 ± 0.0017 Å
• α: 90°
• β: 101.714 ± 0.002°
• γ: 90°
• Cell volume: 1955.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No