Information card for entry 7101728

Structure parameters

• Formula: C57 H107 F0 In2 N Ni O23
• Calculated formula: C57 H107 In2 N Ni O23
• Title of publication: Al, Ga and In heterometallic wheels and their by-products.
• Authors of publication: Sañudo, E Carolina; Muryn, Christopher A; Helliwell, Madeleine A; Timco, Grigore A; Wernsdorfer, Wolfgang; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 801 - 803
• a: 15.0221 ± 0.0007 Å
• b: 12.3977 ± 0.0006 Å
• c: 39.2275 ± 0.0015 Å
• α: 90°
• β: 94.561 ± 0.003°
• γ: 90°
• Cell volume: 7282.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No