Information card for entry 4068852

Structure parameters

• Formula: C38 H58 N2 P4 Pd2 S2
• Calculated formula: C38 H58 N2 P4 Pd2 S2
• SMILES: [Pd]12([P](N(C(C)C)C(C)C)(c3cccc4cccc2c34)S[Pd]2([P](S1)(N(C(C)C)C(C)C)c1cccc3cccc2c13)[P](C)(C)C)[P](C)(C)C
• 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: 11.598 ± 0.0001 Å
• b: 41.183 ± 0.0003 Å
• c: 17.635 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8423.19 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No