Information card for entry 4122575

Structure parameters

• Formula: C54 H87 Li O4 Ru Si2 Sn
• Calculated formula: C54 H87 Li O4 Ru Si2 Sn
• SMILES: [Sn]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, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.
• Authors of publication: Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 13059 - 13064
• a: 12.7833 ± 0.0015 Å
• b: 14.3558 ± 0.0017 Å
• c: 15.1393 ± 0.0018 Å
• α: 97.677 ± 0.003°
• β: 96.928 ± 0.002°
• γ: 93.321 ± 0.003°
• Cell volume: 2725.5 ± 0.6 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: 0.0702
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No