Information card for entry 4114622

Structure parameters

• Common name: 01060a
• Formula: C37 H78 K2 Mn N11 O8
• Calculated formula: C37.007 H78 K2 Mn N11.0005 O8.0025
• Title of publication: Isolation of Monomeric MnIII/II-OH and MnIII-O Complexes from Water: Evaluation of O-H Bond Dissociation Energies
• Authors of publication: Rajeev Gupta; Cora E. MacBeth; Victor G. Young; A. S. Borovik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1136 - 1137
• a: 30.589 ± 0.005 Å
• b: 11.6164 ± 0.0019 Å
• c: 30.605 ± 0.005 Å
• α: 90°
• β: 107.867 ± 0.003°
• γ: 90°
• Cell volume: 10351 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No