Information card for entry 4067872

Structure parameters

• Common name: unimc13
• Formula: C24 H34 Cl4 Ru2
• Calculated formula: C24 H34 Cl4 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11(Cl)([Cl]1)([Cl]2)[c]12[c]8([cH]9[c]%10([cH]%111)C(C)(C)C)C([c]14[c]3([cH]7[c]6([cH]51)C(C)(C)C)C2(C)C)(C)C)Cl
• Title of publication: Selective Dialkylation of a Doubly Linked Dicyclopentadiene Ligand and the Ensuing Ruthenium Complexes
• Authors of publication: Fier, Patrick S.; Reinig, Regina R.; King, Janeth; Dickerson, Christopher; Chin, Robert M.; Doucouré, Mantia; Brennessel, William
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 261
• a: 12.1126 ± 0.0007 Å
• b: 14.4046 ± 0.0008 Å
• c: 14.4964 ± 0.0008 Å
• α: 90°
• β: 90.566 ± 0.001°
• γ: 90°
• Cell volume: 2529.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No