Information card for entry 7115700

Structure parameters

• Formula: C26 H30 Cl2 N4 O2 P Pd
• Calculated formula: C26 H30 Cl2 N4 O2 P Pd
• SMILES: Cl[Pd]1(Cl)[P](c2ccccc2)(c2c(C3N1N(C(=O)N(N=3)C(C)C)C(C)C)cccc2)c1ccccc1.O
• Title of publication: Classical and non-classical redox reactions of Pd(II) complexes containing redox-active ligands
• Authors of publication: Corey A. Sanz; Michael J. Ferguson; Robert McDonald; Brian O. Patrick; Robin G. Hicks
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11676
• a: 8.972 ± 0.005 Å
• b: 9.771 ± 0.005 Å
• c: 16.661 ± 0.009 Å
• α: 101.704 ± 0.014°
• β: 100.03 ± 0.014°
• γ: 94.767 ± 0.013°
• Cell volume: 1397.7 ± 1.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0636
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No