Information card for entry 4076933

Structure parameters

• Common name: compound 3b
• Formula: C34 H32 Fe O4 Os
• Calculated formula: C34 H32 Fe O4 Os
• SMILES: [Os]1(C#[O])(C#[O])(C#[O])C#[O]CCc2cc(ccc2)CC[c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([cH]7[cH]8[cH]9[cH]%102)CCc2cc(CC1)ccc2
• 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: 6.195 ± 0.003 Å
• b: 41.882 ± 0.012 Å
• c: 11.053 ± 0.003 Å
• α: 90°
• β: 95.84 ± 0.03°
• γ: 90°
• Cell volume: 2852.9 ± 1.8 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: 0.043
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No