Information card for entry 4066675

Structure parameters

• Common name: unimc08
• Formula: C28 H32 Ru2
• Calculated formula: C28 H32 Ru2
• SMILES: [Ru]12345678([cH]9[cH]1[cH]2[cH]3[cH]4C9)[c]12[cH]8[cH]7[cH]6[c]51C([c]13[Ru]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7C%11)[c]1([cH]%10[cH]9[cH]38)C2(C)C)(C)C
• Title of publication: Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands
• Authors of publication: Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3868
• a: 13.2933 ± 0.0009 Å
• b: 12.4533 ± 0.0008 Å
• c: 26.2599 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4347.2 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No