Information card for entry 7115699

Structure parameters

• Formula: C26 H28 N4 O P
• Calculated formula: C26 H28 N4 O P
• SMILES: P(c1c(C2=NN(C(=O)N([N]2)C(C)C)C(C)C)cccc1)(c1ccccc1)c1ccccc1
• 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: 18.7336 ± 0.0014 Å
• b: 10.702 ± 0.0008 Å
• c: 11.7743 ± 0.0009 Å
• α: 90°
• β: 94.201 ± 0.001°
• γ: 90°
• Cell volume: 2354.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No