Information card for entry 4075822

Structure parameters

• Formula: C44 H57 N3 Pd
• Calculated formula: C44 H57 N3 Pd
• SMILES: [Pd]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([N](Cc1ccccc1)=Cc1ccccc1)C
• Title of publication: Neutral N‒O Chelated Palladium(II) Complexes: Syntheses, Characterization, and Reactivity
• Authors of publication: Kang, Myeongsoon; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3508 - 3515
• a: 8.8271 ± 0.0004 Å
• b: 19.8265 ± 0.001 Å
• c: 22.4034 ± 0.0011 Å
• α: 90°
• β: 94.913 ± 0.001°
• γ: 90°
• Cell volume: 3906.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No