Information card for entry 7125260

Structure parameters

• Common name: Mn10
• Formula: C216 H310 Mn10 N12 O40
• Calculated formula: C216 H300 Mn10 N12 O40
• 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: 14.9101 ± 0.0005 Å
• b: 17.9438 ± 0.0005 Å
• c: 22.3792 ± 0.0007 Å
• α: 69.512 ± 0.002°
• β: 75.796 ± 0.002°
• γ: 81.501 ± 0.002°
• Cell volume: 5424.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No