Information card for entry 4068498

Structure parameters

• Formula: C103 H95 B F15 N2 O4 Zn2
• Calculated formula: C103 H95 B F15 N2 O4 Zn2
• Title of publication: Stepwise Boron-to-Zinc C6F5Group Transfer in a Zn−Calixarene System
• Authors of publication: Kotzen, Natalie; Goldberg, Israel; Vigalok, Arkadi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 929
• a: 12.291 ± 0.0005 Å
• b: 17.5055 ± 0.0007 Å
• c: 22.356 ± 0.0008 Å
• α: 91.4034 ± 0.0017°
• β: 89.8809 ± 0.0017°
• γ: 110.243 ± 0.0019°
• Cell volume: 4511.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No