Information card for entry 7007240

Structure parameters

• Formula: C52 H84 Cl4 Mn4 N2 O16
• Calculated formula: C52 H84 Cl4 Mn4 N2 O16
• Title of publication: Ligand-induced distortion of a tetranuclear manganese butterfly complex.
• Authors of publication: Bagai, Rashmi; Abboud, Khalil A.; Christou, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3306 - 3312
• a: 17.7518 ± 0.0013 Å
• b: 17.3654 ± 0.0012 Å
• c: 21.4029 ± 0.0015 Å
• α: 90°
• β: 100.856 ± 0.001°
• γ: 90°
• Cell volume: 6479.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.086
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No