Information card for entry 1545268

Structure parameters

• Chemical name: Anionic PlumboleRuthenocene
• Formula: C54 H87 Li O4 Pb Ru Si2
• Calculated formula: C54 H87 Li O4 Pb Ru Si2
• SMILES: [Pb]12[C]3(=[C]4([C]5(=[C]1([Si](C)(C)C(C)(C)C)[Ru]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element
• Authors of publication: Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3092
• a: 12.7785 ± 0.0007 Å
• b: 14.3628 ± 0.0008 Å
• c: 15.1226 ± 0.0009 Å
• α: 97.836 ± 0.001°
• β: 96.992 ± 0.001°
• γ: 93.261 ± 0.001°
• Cell volume: 2721.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No