Information card for entry 4116782

Structure parameters

• Formula: C20 H54 Cl3 Mn2 N13 O15
• Calculated formula: C20 H48 Cl3 Mn2 N13 O15
• 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: 16.752 ± 0.003 Å
• b: 25.009 ± 0.005 Å
• c: 18.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7861 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections: 0.2257
• Weighted residual factors for significantly intense reflections: 0.2198
• Goodness-of-fit parameter for all reflections: 1.192
• Goodness-of-fit parameter for significantly intense reflections: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No