Information card for entry 7125261

Structure parameters

• Common name: Mn8Gd2
• Formula: C206 H280 Gd2 Mn8 N10 O44
• Calculated formula: C206 H278 Gd2 Mn8 N10 O44
• Title of publication: Core expansion of bis-calix[4]arene-supported clusters.
• Authors of publication: Coletta, Marco; McLellan, Ross; Waddington, Amy; Sanz, Sergio; Gagnon, Kevin J.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 99
• Pages of publication: 14246 - 14249
• a: 22.096 ± 0.0007 Å
• b: 19.157 ± 0.0006 Å
• c: 27.0764 ± 0.0009 Å
• α: 90°
• β: 105.149 ± 0.002°
• γ: 90°
• Cell volume: 11063 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No