Information card for entry 4071714

Structure parameters

• Formula: C20 H23 Cl N2 O Pd
• Calculated formula: C20 H23 Cl N2 O Pd
• SMILES: [Pd]1([n]2c(c3[n]1cccc3)cccc2)(Cl)[C@H]1[C@H]2C[C@@H]([C@H]1CC(=O)C)CC2.[Pd]1([n]2c(c3[n]1cccc3)cccc2)(Cl)[C@@H]1[C@@H]2C[C@H]([C@@H]1CC(=O)C)CC2
• Title of publication: New Acetonyl Palladium(II) Complexes
• Authors of publication: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3978
• a: 7.956 ± 0.005 Å
• b: 9.98 ± 0.005 Å
• c: 12.514 ± 0.005 Å
• α: 97.255 ± 0.005°
• β: 105.519 ± 0.005°
• γ: 103.746 ± 0.005°
• Cell volume: 910.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No