Information card for entry 7102095

Structure parameters

• Formula: C33 H105 Co7 N11 O49.5
• Calculated formula: C27 H72 Co7 N10 O36
• Title of publication: A mixed-valence Co7 single-molecule magnet with C3 symmetry.
• Authors of publication: Ferguson, Alan; Parkin, Andrew; Sanchez-Benitez, Javier; Kamenev, Konstantin; Wernsdorfer, Wolfgang; Murrie, Mark
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3473 - 3475
• a: 19.341 ± 0.0003 Å
• b: 19.341 ± 0.0003 Å
• c: 11.5145 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3730.21 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No