Information card for entry 4115428

Structure parameters

• Formula: C72 H68 B8 F32 N36 Zn4
• Calculated formula: C73 H68 B8 F32 N35 Zn4
• Title of publication: Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons
• Authors of publication: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 773 - 774
• a: 13.924 ± 0.005 Å
• b: 17.071 ± 0.005 Å
• c: 21.94 ± 0.005 Å
• α: 94.458 ± 0.005°
• β: 92.51 ± 0.005°
• γ: 97.79 ± 0.005°
• Cell volume: 5144 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No