Information card for entry 7105914

Structure parameters

• Common name: Mn2PhosphinateTBC4
• Formula: C115 H162 Mn4 N4 O20 P2
• Calculated formula: C115 H153 Mn4 N4 O20 P2
• Title of publication: Calix[4]arene supported clusters: A dimer of [MnIII2MnII2] dimers
• Authors of publication: StephanieTaylor; Ruaraidh McIntosh; Christine Beavers; Simon Teat; Stergios Piligkos; Scott Dalgarno; Euan Brechin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1440
• a: 12.5734 ± 0.0007 Å
• b: 13.2559 ± 0.0008 Å
• c: 20.3034 ± 0.0012 Å
• α: 74.747 ± 0.002°
• β: 73.16 ± 0.002°
• γ: 64.054 ± 0.002°
• Cell volume: 2875.7 ± 0.3 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: 0.1149
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No