Information card for entry 4077737

Structure parameters

• Formula: C26 H32 O4 Os Ru
• Calculated formula: C26 H32 O4 Os Ru
• SMILES: [Os]1(CCCCCC[c]23[cH]4[Ru]56789%102([cH]3[cH]5[cH]46)[cH]2[c]%10([cH]9[cH]8[cH]72)CCCCCC1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structure, and Electrochemistry of Osmametallocenophanes with Different Ring Size†,1
• Authors of publication: Lindner, Ekkehard; Krebs, Ilmari; Fawzi, Riad; Steimann, Manfred; Speiser, Bernd
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 480
• a: 5.901 ± 0.003 Å
• b: 49.915 ± 0.011 Å
• c: 9.112 ± 0.002 Å
• α: 90°
• β: 108.64 ± 0.03°
• γ: 90°
• Cell volume: 2543.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.166
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections: 0.2935
• Weighted residual factors for significantly intense reflections: 0.2061
• Goodness-of-fit parameter for all reflections: 2.231
• Goodness-of-fit parameter for significantly intense reflections: 2.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No