Information card for entry 7217614

Structure parameters

• Formula: C20 H16 Fe N2
• Calculated formula: C20 H16 Fe N2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]6([cH]7[cH]82)c1cnc(c2ccccn2)cc1
• 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: 10.186 ± 0.002 Å
• b: 12.531 ± 0.003 Å
• c: 11.828 ± 0.002 Å
• α: 90°
• β: 92.469 ± 0.007°
• γ: 90°
• Cell volume: 1508.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No