Information card for entry 7115698

Structure parameters

• Formula: C52 H56 Cl2 N8 O2 P2 Pd2
• Calculated formula: C52 H56 Cl2 N8 O2 P2 Pd2
• SMILES: [P]1([Pd]2([Cl][Pd]3([P](c4c(C5=NN(C(=O)N(C(C)C)N35)C(C)C)cccc4)(c3ccccc3)c3ccccc3)[Cl]2)N2C(c3c1cccc3)=NN(C(=O)N2C(C)C)C(C)C)(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: 13.5981 ± 0.0012 Å
• b: 17.4517 ± 0.0016 Å
• c: 10.9141 ± 0.001 Å
• α: 90°
• β: 100.235 ± 0.0011°
• γ: 90°
• Cell volume: 2548.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No