Information card for entry 4112083

Structure parameters

• Formula: C36 H36 Cl4 Mn4 N6 O28
• Calculated formula: C36 H36 Cl4 Mn4 N6 O28
• 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: 27.751 ± 0.006 Å
• b: 14.957 ± 0.003 Å
• c: 15.518 ± 0.003 Å
• α: 90°
• β: 113.8 ± 0.03°
• γ: 90°
• Cell volume: 5893 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.2707
• Residual factor for significantly intense reflections: 0.1265
• Weighted residual factors for significantly intense reflections: 0.3246
• Weighted residual factors for all reflections included in the refinement: 0.4166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No