Information card for entry 4112086

Structure parameters

• Formula: C18 H18 Cl Mn2 N6 O7
• Calculated formula: C18 H18 Cl Mn2 N6 O7
• Title of publication: Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets
• Authors of publication: Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17353 - 17363
• a: 10.53 ± 0.002 Å
• b: 16.06 ± 0.003 Å
• c: 13.26 ± 0.003 Å
• α: 90°
• β: 102.79 ± 0.03°
• γ: 90°
• Cell volume: 2186.8 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1346
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No