Information card for entry 4077736

Structure parameters

• Formula: C22 H24 Fe O4 Os
• Calculated formula: C22 H24 Fe O4 Os
• SMILES: [Os]1(C#[O])(C#[O])(C#[O])(C#[O])CCCC[c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([cH]7[cH]8[cH]9[cH]%102)CCCC1
• 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: 6.147 ± 0.001 Å
• b: 43.404 ± 0.009 Å
• c: 8.187 ± 0.002 Å
• α: 90°
• β: 106.6 ± 0.03°
• γ: 90°
• Cell volume: 2093.3 ± 0.8 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: 0.1604
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections: 0.6942
• Weighted residual factors for significantly intense reflections: 0.2228
• Goodness-of-fit parameter for all reflections: 2.467
• Goodness-of-fit parameter for significantly intense reflections: 2.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No