Information card for entry 7026061

Structure parameters

• Formula: C120 H132 Cl6 Mn6 N24 O36
• Calculated formula: C120 H132 Cl6 Mn6 N24 O36
• Title of publication: Synthesis and characterisation of low valent Mn-complexes as models for Mn-catalases.
• Authors of publication: Berggren, Gustav; Huang, Ping; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F.; Thapper, Anders
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11035 - 11044
• a: 26.7119 ± 0.0003 Å
• b: 26.7119 ± 0.0003 Å
• c: 24.2013 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17268.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1892
• Residual factor for significantly intense reflections: 0.1532
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.4092
• Goodness-of-fit parameter for all reflections included in the refinement: 3.376
• Diffraction radiation wavelength: 0.90769 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No