Information card for entry 7043864

Structure parameters

• Formula: C54 H67 Mn5 N22 O16
• Calculated formula: C54 H62 Mn5 N22 O16
• Title of publication: Ligand-directed synthesis of {MnIII5} twisted bow-ties
• Authors of publication: Murrie, Mark; Heras Ojea, Maria Jose; Hay, Moya; Cioncoloni, Giacomo; Craig, Gavin A.; Wilson, Claire; Shiga, Takuya; Oshio, Hiroki; Symes, Mark D.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.0222 ± 0.0003 Å
• b: 12.0473 ± 0.0004 Å
• c: 49.8716 ± 0.0012 Å
• α: 90°
• β: 90.877 ± 0.002°
• γ: 90°
• Cell volume: 7222.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No