Information card for entry 4117028

Structure parameters

• Formula: C47.5 H69 N3 O3 Zn
• Calculated formula: C47.5 H69 N3 O3 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: 12.118 ± 0.002 Å
• b: 19.723 ± 0.003 Å
• c: 19.266 ± 0.003 Å
• α: 90°
• β: 104.23 ± 0.02°
• γ: 90°
• Cell volume: 4463.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.1336
• Weighted residual factors for significantly intense reflections: 0.1206
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No