Information card for entry 4339004

Structure parameters

• Formula: C128 H188 Cl4 Mn22 N6 O88 P8
• Calculated formula: C113.8 H145.18 Mn22 O88 P8
• Title of publication: Synthesis and characterization of a Mn22 single-molecule magnet and a [Mn22]n single-chain magnet.
• Authors of publication: Brockman, Jonathan T.; Stamatatos, Theocharis C.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9160 - 9171
• a: 15.1 ± 0.003 Å
• b: 16.311 ± 0.003 Å
• c: 23.866 ± 0.004 Å
• α: 101.992 ± 0.002°
• β: 106.52 ± 0.002°
• γ: 94.217 ± 0.002°
• Cell volume: 5457.1 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No