Information card for entry 4082243

Structure parameters

• Formula: C35 H38 N2 O Pd
• Calculated formula: C35 H48 N2 O Pd
• SMILES: [Pd]1(Oc2c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc2C(C)(C)C)([N](=Cc1ccccc1)C(C)(C)C)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: 11.4483 ± 0.0011 Å
• b: 19.4368 ± 0.0019 Å
• c: 43.765 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9738.5 ± 1.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4075820
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No