Information card for entry 1545265

Structure parameters

• Chemical name: ClOlumboleRuthenocene
• Formula: C38 H55 Cl Pb Ru Si2
• Calculated formula: C38 H55 Cl Pb Ru Si2
• SMILES: [Pb]1([C]2(=[C]3([C]4(=[C]1([Si](C)(C)C(C)(C)C)[Ru]1567234[c]2([c]7([c]6([c]5([c]12C)C)C)C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C)Cl
• 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: 9.728 ± 0.0012 Å
• b: 18.602 ± 0.002 Å
• c: 21.538 ± 0.003 Å
• α: 90°
• β: 95.419 ± 0.002°
• γ: 90°
• Cell volume: 3880.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No