Information card for entry 4077730

Structure parameters

• Formula: C62 H74 F20 N6 Pd2
• Calculated formula: C62 H74 F20 N6 Pd2
• SMILES: [Pd]1([N]#C[C@H](C#N)[Pd]([N]#C[C@H]1C#N)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Reactivity of [{M(C6F5)2(μ-OH)}2]2-(M = Pd or Pt) toward Aromatic Amines and Malononitrile
• Authors of publication: Ruiz, José; Rodríguez, Venancio; López, Gregorio; Casabó, Jaume; Molins, Elies; Miravitlles, Carles
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1177
• a: 10.652 ± 0.004 Å
• b: 22.162 ± 0.007 Å
• c: 30.109 ± 0.01 Å
• α: 74.74 ± 0.03°
• β: 80.27 ± 0.03°
• γ: 89.91 ± 0.03°
• Cell volume: 6752 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1851
• Weighted residual factors for significantly intense reflections: 0.1362
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No