Information card for entry 4301213

Structure parameters

• Formula: C174 H292 Fe2 Mn6 N24 O38
• Calculated formula: C174 H264 Fe2 Mn6 N24 O38
• Title of publication: Exchange Interactions and Zero-Field Splittings in C3-Symmetric MnIII6FeIII: Using Molecular Recognition for the Construction of a Series of High Spin Complexes Based on the Triplesalen Ligand
• Authors of publication: Thorsten Glaser; Maik Heidemeier; Erich Krickemeyer; Hartmut Bögge; Anja Stammler; Roland Fröhlich; Eckhard Bill; Jürgen Schnack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 607 - 620
• a: 17.7464 ± 0.0007 Å
• b: 30.9994 ± 0.0011 Å
• c: 18.9839 ± 0.0007 Å
• α: 90°
• β: 102.87 ± 0.001°
• γ: 90°
• Cell volume: 10181.2 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No