Information card for entry 7050709

Structure parameters

• Formula: C33 H24 F10 Fe N4 Pd
• Calculated formula: C33 H24 F10 Fe N4 Pd
• SMILES: [Pd]1(c2c(c(c(c(c2F)F)F)F)F)([n]2[n](C([n]3[n]1c(cc3C)C)[c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[cH]1[cH]%10[cH]9[cH]8[cH]71)c(cc2C)C)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: New palladium and platinum polyfluorophenyl complexes with pyrazolyl N-donor ligands. Analysis of the restricted rotation of the polyfluorophenyl rings
• Authors of publication: Carmen Carrión, M.; Díaz, Alberto; Guerrero, Ana; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 305
• a: 12.804 ± 0.001 Å
• b: 16.86 ± 0.03 Å
• c: 15.137 ± 0.002 Å
• α: 90°
• β: 105.41 ± 0.04°
• γ: 90°
• Cell volume: 3150 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No