Information card for entry 4311222

Structure parameters

• Formula: C111 H132 Cl4 Mn21 N18 O77
• Calculated formula: C97 H109 Cl4 Mn21 N11 O73.132
• Title of publication: Synthesis, Structure, and Magnetic Properties of a Mn21 Single-Molecule Magnet
• Authors of publication: E. Carolina Sañudo; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4137 - 4144
• a: 15.2067 ± 0.0017 Å
• b: 16.7331 ± 0.0018 Å
• c: 33.165 ± 0.004 Å
• α: 89.474 ± 0.002°
• β: 81.06 ± 0.002°
• γ: 78.858 ± 0.002°
• Cell volume: 8177.5 ± 1.6 ų
• Cell temperature: 133 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No