Information card for entry 7217616

Structure parameters

• Formula: C38 H42 F12 Fe N8 Pd Sb2
• Calculated formula: C38 H42 F12 Fe N8 Pd Sb2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82c1c[n]2c(cc1)c1cccc[n]1[Pd]2([n]1ccc(cc1)N(C)C)[n]1ccc(cc1)N(C)C.C(#N)C.C(#N)C.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F
• 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: 11.635 ± 0.002 Å
• b: 13.391 ± 0.002 Å
• c: 15.929 ± 0.002 Å
• α: 67.083 ± 0.007°
• β: 84.398 ± 0.007°
• γ: 82.022 ± 0.007°
• Cell volume: 2261.2 ± 0.6 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No