Information card for entry 4321048

Structure parameters

• Formula: C54 H52 Mn3 N4 O18
• Calculated formula: C54 H49.42 Mn3 N4 O18
• Title of publication: An EPR and1H NMR Active Mixed-Valence Manganese (III/II/III) Trinuclear Compound
• Authors of publication: Vasilis Tangoulis; Dora A. Malamatari; Georgios A. Spyroulias; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2621 - 2630
• a: 10.367 ± 0.006 Å
• b: 11.369 ± 0.006 Å
• c: 13.967 ± 0.008 Å
• α: 112.56 ± 0.01°
• β: 93.42 ± 0.02°
• γ: 115.43 ± 0.01°
• Cell volume: 1322.3 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No