Information card for entry 4068849

Structure parameters

• Formula: C68 H70 N2 P4 Pd2 S2
• Calculated formula: C68 H70 N2 P4 Pd2 S2
• SMILES: [Pd]12(S[P]3([Pd](S[P]1(N(C(C)C)C(C)C)c1cccc4cccc2c14)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2cccc3c12)N(C(C)C)C(C)C)[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: 22.078 ± 0.0002 Å
• b: 13.142 ± 0.0001 Å
• c: 23.368 ± 0.0003 Å
• α: 90°
• β: 114.2°
• γ: 90°
• Cell volume: 6184.36 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No