Information card for entry 7025820

Structure parameters

• Formula: C32 H18 Br F10 O P Pd
• Calculated formula: C32 H18 Br F10 O P Pd
• SMILES: [Pd](Br)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C
• 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: 11.0737 ± 0.0006 Å
• b: 11.4335 ± 0.0006 Å
• c: 13.9572 ± 0.0008 Å
• α: 113.68 ± 0.001°
• β: 107.883 ± 0.001°
• γ: 95.584 ± 0.001°
• Cell volume: 1489.99 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No