Information card for entry 7101731

Structure parameters

• Formula: C44 H80 Co2 In2 N2 O18
• Calculated formula: C44 H80 Co2 In2 N2 O18
• 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: 13.7366 ± 0.0004 Å
• b: 14.6428 ± 0.0004 Å
• c: 16.7555 ± 0.0007 Å
• α: 95.802 ± 0.008°
• β: 102.151 ± 0.003°
• γ: 116.952 ± 0.002°
• Cell volume: 2861.24 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No