Information card for entry 7013130

Structure parameters

• Formula: C60.5 H97 Mn2 O9 Se2
• Calculated formula: C60.5 H92 Mn2 O9 Se2
• Title of publication: Manganese complexes of mixed O, X, O-donor ligands (X = S or Se): synthesis, characterization and catalytic reactivity
• Authors of publication: Tapan Kanti Paine; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3136 - 3144
• a: 15.798 ± 0.002 Å
• b: 11.2908 ± 0.0012 Å
• c: 18.644 ± 0.002 Å
• α: 90°
• β: 102.75 ± 0.02°
• γ: 90°
• Cell volume: 3243.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.2044
• Weighted residual factors for significantly intense reflections: 0.1737
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No