Information card for entry 7007239

Structure parameters

• Formula: C29 H33 Mn4 N3 O15
• Calculated formula: C29 H33 Mn4 N3 O15
• 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: 9.3368 ± 0.0006 Å
• b: 22.5058 ± 0.0015 Å
• c: 16.5079 ± 0.0011 Å
• α: 90°
• β: 90.954 ± 0.001°
• γ: 90°
• Cell volume: 3468.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No