Information card for entry 2011326

Structure parameters

• Chemical name: Bis(μ~2~-chloro)-bis-[1,2,3,3-(4-oxo-6,6-dimethyl-1-ethoxycarbonyl)- hexenyl]-palladium (II)
• Formula: C22 H34 Cl2 O6 Pd2
• Calculated formula: C22 H34 Cl2 O6 Pd2
• SMILES: [CH]1(=[CH]2[Pd]31(C2C(=O)C(C)(C)C)[Cl][Pd]12([CH](C(=O)OCC)=[CH]1C2C(=O)C(C)(C)C)[Cl]3)C(=O)OCC
• Title of publication: The allyl complex di-μ-chloro-bis{[(1,2,3-η)-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)}
• Authors of publication: Spek, Anthony L.; Canisius, Johannes; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1065 - 1066
• a: 6.6157 ± 0.0011 Å
• b: 9.654 ± 0.004 Å
• c: 10.748 ± 0.004 Å
• α: 101.96 ± 0.03°
• β: 90.13 ± 0.03°
• γ: 104.29 ± 0.03°
• Cell volume: 649.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0187
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No