Information card for entry 4076937

Structure parameters

• Common name: compound 4h * n-hexane
• Formula: C90 H110 Fe2 O8 Os2
• Calculated formula: C90 H110 Fe2 O8 Os2
• SMILES: C(#[O])[Os]1(C#[O])(C#[O])(CCCCc2ccc(cc2)CCCC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)CCCCc2ccc(cc2)CCCC[Os](C#[O])(C#[O])(C#[O])(C#[O])CCCCc2ccc(cc2)CCCC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)CCCCc2ccc(cc2)CCCC1)C#[O].CCCCCC
• Title of publication: Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1
• Authors of publication: Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4217
• a: 6.6774 ± 0.0019 Å
• b: 11.1945 ± 0.0016 Å
• c: 29.219 ± 0.004 Å
• α: 93.038 ± 0.008°
• β: 92.63 ± 0.02°
• γ: 104.982 ± 0.009°
• Cell volume: 2102.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No