Information card for entry 4116784

Structure parameters

• Formula: C12 H27 Cl2 Mn N6 O8
• Calculated formula: C12 H27 Cl2 Mn N6 O8
• Title of publication: Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands
• Authors of publication: Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 7260 - 7270
• a: 8.119 ± 0.001 Å
• b: 16.92 ± 0.002 Å
• c: 16.242 ± 0.002 Å
• α: 90 ± 0°
• β: 103.81 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 2166.7 ± 0.5 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: 0.0961
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections: 0.2324
• Weighted residual factors for significantly intense reflections: 0.2035
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No