Information card for entry 4076936

Structure parameters

• Common name: compound 4a
• Formula: C68 H64 Fe2 O8 Os2
• Calculated formula: C68 H64 Fe2 O8 Os2
• SMILES: C(#[O])[Os]1(C#[O])(C#[O])(C#[O])CCc2ccccc2CC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[c]93CCc2ccccc2CC[Os](C#[O])(C#[O])(C#[O])(C#[O])CCc2ccccc2CC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[c]93CCc2ccccc2CC1
• 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: 14.646 ± 0.004 Å
• b: 12.629 ± 0.007 Å
• c: 32.278 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5970 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No