Information card for entry 4115427

Structure parameters

• Formula: C84 H76 F60 N42 Ni5 Sb10
• Calculated formula: C86 H70 Cl6.734 F59.388 N42 Ni5 Sb6.684
• 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: 17.933 ± 0.004 Å
• b: 28.314 ± 0.006 Å
• c: 29.459 ± 0.006 Å
• α: 90°
• β: 104.82 ± 0.03°
• γ: 90°
• Cell volume: 14460 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.3645
• Weighted residual factors for all reflections included in the refinement: 0.4099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No