Information card for entry 4335651

Structure parameters

• Formula: C26 H44 Ru Sn2
• Calculated formula: C26 H44 Ru Sn2
• SMILES: [Sn]1([Sn]([c]23[Ru]456789%10([c]%111[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[cH]3%10)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium
• Authors of publication: Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9060 - 9065
• a: 16.7387 ± 0.0014 Å
• b: 9.176 ± 0.0007 Å
• c: 18.567 ± 0.0015 Å
• α: 90°
• β: 110.272 ± 0.001°
• γ: 90°
• Cell volume: 2675.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0143
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No