Information card for entry 7052244

Structure parameters

• Formula: C28 H23 Fe2 N O5 W
• Calculated formula: C28 H23 Fe2 N O5 W
• SMILES: [W]([N]12[Fe]3456789([C]1(=[CH]3[CH]4=[C]25C)C)[cH]1[cH]9[cH]8[cH]7[c]61/C=C/[c]12[cH]3[Fe]4567891([cH]3[cH]5[cH]24)[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Aryl (ferrocenyl)-capped ethenylazaferrocenes: synthesis, structure and electrochemistry
• Authors of publication: Konrad Kowalski; Janusz Zakrzewski; Marcin Palusiak; Sławomir Domagała
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 901
• a: 17.771 ± 0.004 Å
• b: 24.755 ± 0.003 Å
• c: 12.338 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5428 ± 2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No