Information card for entry 4322402

Structure parameters

• Formula: C141 H118 Cl10 Mn12 O48 P
• Calculated formula: C145.661 Cl3.16161 Mn12 O47.4 P
• Title of publication: Reduced Anionic Mn12 Molecules with Half-Integer Ground States as Single-Molecule Magnets
• Authors of publication: Sheila M. J. Aubin; Ziming Sun; Luca Pardi; J. Krzystek; Kirsten Folting; Louis-Claude Brunel; Arnold L. Rheingold; George Christou; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5329 - 5340
• a: 18.081 ± 0.01 Å
• b: 26.406 ± 0.015 Å
• c: 17.191 ± 0.011 Å
• α: 93.84 ± 0.03°
• β: 102.89 ± 0.03°
• γ: 89.03 ± 0.03°
• Cell volume: 7983 ± 8 ų
• 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 significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 3.0493
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No