Information card for entry 7113411

Structure parameters

• Formula: C32 H32 Cl2 N2 O4 Pd
• Calculated formula: C32 H32 Cl2 N2 O4 Pd
• SMILES: O1C(=[N]2[Pd](Cl)(Cl)[n]3c(OC[C@@H]2C(C)C)cccc3)c2ccccc2C1(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds
• Authors of publication: Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5909
• a: 9.72 ± 0.0004 Å
• b: 16.5858 ± 0.0006 Å
• c: 18.421 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2969.7 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No