Information card for entry 7217618

Structure parameters

• Formula: C37 H41 F12 Fe N7 Pd Sb2
• Calculated formula: C37 H41 F12 Fe N7 Pd Sb2
• SMILES: Cc1c[n]2c(c3ccc(c[n]3[Pd]2([n]2ccc(cc2)N(C)C)[n]2ccc(cc2)N(C)C)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)cc1.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: 10.353 ± 0.007 Å
• b: 14.768 ± 0.009 Å
• c: 15.121 ± 0.01 Å
• α: 73.09 ± 0.03°
• β: 73.84 ± 0.03°
• γ: 74.59 ± 0.03°
• Cell volume: 2081 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No