Information card for entry 4088315

Structure parameters

• Formula: C73.5 H90 Cl5 O5 P2 Pd
• Calculated formula: C73.5 H80 Cl5 O5 P2 Pd
• Title of publication: Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses
• Authors of publication: Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 420
• a: 11.897 ± 0.002 Å
• b: 30.808 ± 0.006 Å
• c: 19.968 ± 0.004 Å
• α: 90°
• β: 94.204 ± 0.003°
• γ: 90°
• Cell volume: 7299 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1411
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No