Information card for entry 4314865

Structure parameters

• Formula: C26 H22 N2 O4 Pd2
• Calculated formula: C26 H22 N2 O4 Pd2
• SMILES: [Pd]13([O]=C(C)O[Pd]4([O]=C(O1)C)[n]1ccccc1c1ccccc41)[n]1ccccc1c1ccccc31
• Title of publication: Electronic Structures of PdII Dimers
• Authors of publication: John E. Bercaw; Alec C. Durrell; Harry B. Gray; Jennifer C. Green; Nilay Hazari; Jay A. Labinger; Jay R. Winkler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1801 - 1810
• a: 9.65 ± 0.0004 Å
• b: 18.7057 ± 0.0007 Å
• c: 12.8661 ± 0.0005 Å
• α: 90°
• β: 101.452 ± 0.002°
• γ: 90°
• Cell volume: 2276.22 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 2.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No