Information card for entry 4303435

Structure parameters

• Formula: C38 H39 Cl Mn2 N5 O11
• Calculated formula: C38 H39 Cl Mn2 N5 O11
• Title of publication: Structural and Catalytic Characterization of a Heterovalent Mn(II)Mn(III) Complex That Mimics Purple Acid Phosphatases
• Authors of publication: Sarah J. Smith; Mark J. Riley; Christopher J. Noble; Graeme R. Hanson; Robert Stranger; Vidura Jayaratne; Germán Cavigliasso; Gerhard Schenk; Lawrence R. Gahan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10036 - 10048
• a: 19.665 ± 0.0005 Å
• b: 10.803 ± 0.001 Å
• c: 20.888 ± 0.004 Å
• α: 90°
• β: 116.75 ± 0.02°
• γ: 90°
• Cell volume: 3962.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No