Information card for entry 7101730

Structure parameters

• Formula: C44 H80 In2 N2 Ni2 O18
• Calculated formula: C44 H80 In2 N2 Ni2 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: 13.6807 ± 0.0005 Å
• b: 14.616 ± 0.0007 Å
• c: 16.7701 ± 0.0006 Å
• α: 95.458 ± 0.004°
• β: 102.446 ± 0.003°
• γ: 116.862 ± 0.003°
• Cell volume: 2849 ± 0.2 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: 0.0342
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No