Information card for entry 7004003

Structure parameters

• Formula: C8 H14 Cl2 N2 O2 Pd
• Calculated formula: C8 H14 Cl2 N2 O2 Pd
• Title of publication: Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl2(2-oxazoline)2] complexes
• Authors of publication: Gossage, Robert A.; Jenkins, Hilary A.; Jones, Nathan D.; Jones, Roderick C.; Yates, Brian F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 23
• Pages of publication: 3115 - 3122
• a: 7.5416 ± 0.0008 Å
• b: 8.4479 ± 0.0009 Å
• c: 9.6688 ± 0.001 Å
• α: 84.997 ± 0.002°
• β: 81.775 ± 0.002°
• γ: 85.269 ± 0.002°
• Cell volume: 605.81 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No