Information card for entry 7101727

Structure parameters

• Formula: C344 H640 Al28 F32 N4 Ni4 O128
• Calculated formula: C344 H640 Al28.08 F32 N4 Ni4 O128
• 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: 26.016 ± 0.005 Å
• b: 20.219 ± 0.004 Å
• c: 25.896 ± 0.005 Å
• α: 90°
• β: 111 ± 0.03°
• γ: 90°
• Cell volume: 12717 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1257
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.846 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No