Information card for entry 1545266

Structure parameters

• Chemical name: IodoPlumboleRuthenocene
• Formula: C44 H69 I Pb Ru Si2
• Calculated formula: C44 H69 I Pb Ru Si2
• SMILES: [Pb]1(I)[C]2([Ru]345678([C]=2([C]3(=[C]14[Si](C(C)(C)C)(C)C)c1ccccc1)c1ccccc1)[c]1([c]7([c]8([c]5([c]61C)C)C)C)C)[Si](C)(C)C(C)(C)C.CCCCCC
• 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: 10.393 ± 0.0005 Å
• b: 22.3163 ± 0.001 Å
• c: 39.5129 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9164.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No