Information card for entry 4306747

Structure parameters

• Formula: C46 H48 N4 O2 Pd2
• Calculated formula: C46 H48 N4 O2 Pd2
• SMILES: C1=C(C)N([Pd]2([N](=C1C)c1ccccc1)[OH][Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)[OH]2)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Syntheses, Structures, and Reactivities of Novel Palladium β-Diiminato-Acetate Complexes
• Authors of publication: Alen Hadzovic; Datong Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12010 - 12017
• a: 13.7156 ± 0.0007 Å
• b: 12.5422 ± 0.0007 Å
• c: 11.6662 ± 0.0004 Å
• α: 90°
• β: 93.826 ± 0.003°
• γ: 90°
• Cell volume: 2002.39 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No