Information card for entry 4109319

Structure parameters

• Formula: C34 H36 Cl2 Mn2 N4 O14
• Calculated formula: C34 H36 Cl2 Mn2 N4 O14
• SMILES: c12ccccc1C=[N]1CCC[N]3=Cc4c(cccc4)O[Mn]413([OH2])[O]2[Mn]123([N](=Cc5c(cccc5)[O]42)CCC[N]1=Cc1c(cccc1)O3)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: One-Dimensional Supramolecular Organization of Single-Molecule Magnets
• Authors of publication: Lollita Lecren; Wolfgang Wernsdorfer; Yang-Guang Li; Alessandro Vindigni; Hitoshi Miyasaka; Rodolphe Clérac
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5045 - 5051
• a: 19.89 ± 0.004 Å
• b: 13.46 ± 0.003 Å
• c: 14.7 ± 0.003 Å
• α: 90°
• β: 110.69 ± 0.03°
• γ: 90°
• Cell volume: 3681.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No