Information card for entry 4306340

Structure parameters

• Formula: C22 H22 Cl2 N2 O Pd
• Calculated formula: C22 H22 Cl2 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2ccccc2[C@@H]2O[C@@H]([C@@H]([N]12Cc1ccccc1)C)c1ccccc1
• Title of publication: Chiral, Hemilabile Palladium(II) Complexes of Tridentate Oxazolidines, Including C2-Symmetric "Pincers"
• Authors of publication: Elizabeth T. J. Strong; Steven A. Cardile; Allison L. Brazeau; Michael C. Jennings; Robert McDonald; Nathan D. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10575 - 10586
• a: 7.84 ± 0.0003 Å
• b: 14.8979 ± 0.0006 Å
• c: 9.4679 ± 0.0003 Å
• α: 90°
• β: 103.84 ± 0.002°
• γ: 90°
• Cell volume: 1073.74 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No