Information card for entry 7013705

Structure parameters

• Formula: C54 H77 Mn4 N5 O20
• Calculated formula: C54 H77 Mn4 N5 O20
• Title of publication: Synthesis, structure and magnetism of new single molecule magnets composed of MnII2MnIII2 alkoxo-carboxylate bridged clusters capped by triethanolamine ligands.
• Authors of publication: Wittick, Lisa M.; Murray, Keith S.; Moubaraki, Boujemaa; Batten, Stuart R.; Spiccia, Leone; Berry, Kevin J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 1003 - 1011
• a: 30.1516 ± 0.0009 Å
• b: 8.6367 ± 0.0004 Å
• c: 26.52 ± 0.0002 Å
• α: 90°
• β: 119.46 ± 0.002°
• γ: 90°
• Cell volume: 6013.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2956
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No