Information card for entry 7217615

Structure parameters

• Formula: C20 H16 Fe N2
• Calculated formula: C20 H16 Fe N2
• SMILES: [cH]12[cH]3[c]4(c5ccc(nc5)c5ccccn5)[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]8[cH]7[cH]62
• Title of publication: 5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.
• Authors of publication: Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 13.0963 ± 0.0023 Å
• b: 20.1531 ± 0.0035 Å
• c: 11.7129 ± 0.0024 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3091.4 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No