Information card for entry 7017248

Structure parameters

• Common name: RM_2
• Formula: C208 H0 N5 Na4 Ni9 O23
• Calculated formula: C206 H290 N10 Na4 O30
• Title of publication: p-tert-Butylcalix[8]arene: A support for sodium and sodium-manganese clusters that exhibit interesting self-assembly properties.
• Authors of publication: McIntosh, Ruaraidh D.; Taylor, Stephanie M.; Sanz, Sergio; Beavers, Christine M.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12265 - 12270
• a: 21.9752 ± 0.0009 Å
• b: 35.3446 ± 0.0015 Å
• c: 28.1668 ± 0.001 Å
• α: 90°
• β: 94.022 ± 0.002°
• γ: 90°
• Cell volume: 21823.4 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.2557
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.283
• Weighted residual factors for all reflections included in the refinement: 0.3155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.386
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No