Information card for entry 7113412

Structure parameters

• Formula: C56 H62 Cl8 N2 O8 Pd2
• Calculated formula: C56 H62 Cl8 N2 O8 Pd2
• SMILES: C1(c2ccccc2C(c2ccc(cc2)OC)(c2ccc(cc2)OC)O1)=[N]([C@@H](C(C)C)CO)[Pd]1(Cl)[Cl][Pd]([N](=C2c3ccccc3C(c3ccc(cc3)OC)(c3ccc(cc3)OC)O2)[C@@H](C(C)C)CO)([Cl]1)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 9.80633 ± 0.00012 Å
• b: 13.99186 ± 0.00013 Å
• c: 22.0766 ± 0.0002 Å
• α: 90°
• β: 94.1682 ± 0.0011°
• γ: 90°
• Cell volume: 3021.09 ± 0.05 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106.15 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: 0.0381
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No