Information card for entry 4075821

Structure parameters

• Formula: C38 H46 N2 O Pd
• Calculated formula: C38 H46 N2 O Pd
• SMILES: O1c2c(C=[N]([Pd]1([N](=Cc1ccccc1)Cc1ccccc1)C)c1c(cccc1C(C)C)C(C)C)cccc2C(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: 9.6685 ± 0.0004 Å
• b: 13.0421 ± 0.0006 Å
• c: 14.892 ± 0.0007 Å
• α: 71.67 ± 0.001°
• β: 81.25 ± 0.001°
• γ: 71.083 ± 0.001°
• Cell volume: 1683.65 ± 0.13 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0962
• 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