Information card for entry 4068854

Structure parameters

• Formula: C68 H70 N2 O4 P4 Pd2
• Calculated formula: C68 H70 N2 O4 P4 Pd2
• SMILES: [Pd]12([O]=P(O[Pd]3([O]=P(O2)(N(C(C)C)C(C)C)c2cccc4cccc3c24)[P](c2ccccc2)(c2ccccc2)c2ccccc2)(N(C(C)C)C(C)C)c2cccc3cccc1c23)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.941 ± 0.0005 Å
• b: 13.746 ± 0.0005 Å
• c: 18.98 ± 0.0011 Å
• α: 85.954 ± 0.002°
• β: 75.978 ± 0.002°
• γ: 65.496 ± 0.002°
• Cell volume: 2978.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No