Information card for entry 2202061

Structure parameters

• Chemical name: Chloro(P-{2-[N-(2,6-diisopropylphenyl)iminomethyl]phenyl}- P,P-diphenylphosphine-κ^2^N,P)methylpalladium(II)
• Formula: C32 H35 Cl N P Pd
• Calculated formula: C32 H35 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](c2c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc2)(c1ccccc1)c1ccccc1)C
• Title of publication: Chloro(<i>P</i>-{2-[<i>N</i>-(2,6-diisopropylphenyl)iminomethyl]phenyl}-<i>P,P</i>-diphenylphosphine-κ^2^<i>N,P</i>)methylpalladium(II)
• Authors of publication: Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m97 - m98
• a: 11.6099 ± 0.0007 Å
• b: 14.2132 ± 0.0008 Å
• c: 17.0508 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes