Information card for entry 7045868

Structure parameters

• Formula: C79 H100 Cl4 Cr2 N12 Ni5 O35
• Calculated formula: C72 H72 Cl4 Cr1.9998 N12 Ni5.0002 O28
• Title of publication: Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)
• Authors of publication: Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 14.6131 ± 0.0003 Å
• b: 14.6131 ± 0.0003 Å
• c: 37.2857 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6895.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No