Information card for entry 7025821

Structure parameters

• Formula: C43 H38 Cl3 F20 N O2 Pd2
• Calculated formula: C43 H38 Cl3 F20 N O2 Pd2
• SMILES: [Pd]([Cl][Pd](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#[O])(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC.ClCCl
• Title of publication: Synthesis and characterization of neutral and anionic carbonyl derivatives of palladium(II).
• Authors of publication: Ara, Irene; Forniés, Juan; Martín, Antonio; Martín, L Francisco; Menjón, Babil; Miedes, Helvia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 31
• Pages of publication: 7301 - 7309
• a: 18.1282 ± 0.0005 Å
• b: 18.2509 ± 0.0008 Å
• c: 29.6036 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9794.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No