Information card for entry 4068851

Structure parameters

• Formula: C43 H45 Cl3 N O P3 Pd
• Calculated formula: C43 H45 Cl3 N O P3 Pd
• SMILES: [Pd]12(P(=O)(N(C(C)C)C(C)C)c3cccc4cccc2c34)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Synthesis and Reactivity of Five-Membered P(V)-Phosphapalladacycles
• Authors of publication: Mizuta, Tsutomu; Tanaka, Nobuyuki; Iwakuni, Yukiko; Kubo, Kazuyuki; Miyoshi, Katsuhiko
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2808
• a: 10.583 ± 0.0002 Å
• b: 13.566 ± 0.0003 Å
• c: 15.298 ± 0.0003 Å
• α: 86.772 ± 0.002°
• β: 82.503 ± 0.002°
• γ: 79.112 ± 0.001°
• Cell volume: 2137.21 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No