Information card for entry 4113584

Structure parameters

• Formula: C84 H74 Cl40 Mn12 O49 P2
• Calculated formula: C83.7 H59.71 Cl39.9951 Mn12 O47.61 P2
• Title of publication: Single-Molecule Magnets: Two-Electron Reduced Version of a Mn12 Complex and Environmental Influences on the Magnetization Relaxation of (PPh4)2[Mn12O12(O2CCHCl2)16(H2O)4]
• Authors of publication: Monica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; John C. Huffman; Ernest R. Davidson; David N. Hendrickson; George Christou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3576 - 3588
• a: 15.2645 ± 0.0006 Å
• b: 22.0533 ± 0.0009 Å
• c: 22.2281 ± 0.0009 Å
• α: 109.363 ± 0.001°
• β: 93.65 ± 0.001°
• γ: 96.674 ± 0.001°
• Cell volume: 6969.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No