Information card for entry 4088318

Structure parameters

• Formula: C78 H93 B Cl7 F4 N O2 P2 Pd
• Calculated formula: C78 H87 B Cl7 F4 N O2 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: 13.0358 ± 0.0015 Å
• b: 15.4702 ± 0.0017 Å
• c: 20.992 ± 0.002 Å
• α: 89.81 ± 0.001°
• β: 75.346 ± 0.001°
• γ: 66.805 ± 0.001°
• Cell volume: 3742.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No