Information card for entry 4117027

Structure parameters

• Formula: C42 H64 B F4 N3 O7 Zn
• Calculated formula: C42 H63.99 B F4 N3 O7 Zn
• Title of publication: Phenoxyl Radical Complexes of Zinc(II)
• Authors of publication: Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8889 - 8900
• a: 20.636 ± 0.002 Å
• b: 20.636 ± 0.002 Å
• c: 20.636 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8787.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.0974
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No