Information card for entry 4122574

Structure parameters

• Formula: C48 H70 Ru2 Si2 Sn
• Calculated formula: C48 H70 Ru2 Si2 Sn
• SMILES: [Sn]123[C]45([Ru]6789%10%111([C]1=5([Ru]5%12%13%14%1524([c]2([c]5([c]%15([c]%12([c]%132C)C)C)C)C)[C]61(=[C]37%14[Si](C)(C(C)(C)C)C)c1ccccc1)c1ccccc1)[c]1(C)[c]9(C)[c]%11([c]8(C)[c]%101C)C)[Si](C)(C(C)(C)C)C
• 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: 10.7817 ± 0.001 Å
• b: 17.318 ± 0.0016 Å
• c: 24.015 ± 0.002 Å
• α: 90°
• β: 100.853 ± 0.002°
• γ: 90°
• Cell volume: 4403.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No