Information card for entry 4071196

Structure parameters

• Formula: C32 H35 I O3 P2 Pd
• Calculated formula: C32 H35 I O3 P2 Pd
• SMILES: [Pd]12(I)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH](P(=O)(OCC)OCC)=[C]1(C2C)c1ccccc1
• Title of publication: Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)
• Authors of publication: Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2614
• a: 12.2084 ± 0.0013 Å
• b: 14.0521 ± 0.0015 Å
• c: 19.558 ± 0.002 Å
• α: 90°
• β: 105.207 ± 0.002°
• γ: 90°
• Cell volume: 3237.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No