Information card for entry 4311401

Structure parameters

• Formula: C78.1 H89 Cl12.2 Mn12 O52.4 P4
• Calculated formula: C78.1 H89 Cl12.2 Mn12 O52.4 P4
• Title of publication: A Mn12 Single-Molecule Magnet [Mn12O12(OAc)12(dpp)4] (dppH = Diphenyl Phosphate) with No Coordinating Water Molecules
• Authors of publication: Guo-Qing Bian; Takayoshi Kuroda-Sowa; Hisashi Konaka; Masaki Hatano; Masahiko Maekawa; Megumu Munakata; Hitoshi Miyasaka; Masahiro Yamashita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4790 - 4792
• a: 14.8881 ± 0.0007 Å
• b: 29.168 ± 0.001 Å
• c: 27.426 ± 0.001 Å
• α: 90°
• β: 94.468 ± 0.003°
• γ: 90°
• Cell volume: 11873.7 ± 0.8 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No