Information card for entry 7105750

Structure parameters

• Formula: C56 H127 Cl4 Mn18 N42 O36
• Calculated formula: C38 H80 Mn18 N42.2 O32
• Title of publication: Structural aesthetics in molecular 3d-metal cluster chemistry: mixed-valence Mn17, Mn18 and {Mn62}n complexes from the use of triethanolamine
• Authors of publication: Theocharis Stamatatos; Dolos Foguet-Albiol; Wolfgang Wernsdorfer; Khalil Abboud; George Christou
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 274
• a: 15.3132 ± 0.0002 Å
• b: 18.3122 ± 0.0011 Å
• c: 21.422 ± 0.002 Å
• α: 68.092 ± 0.002°
• β: 79.91 ± 0.02°
• γ: 74.134 ± 0.002°
• Cell volume: 5342.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No