Information card for entry 7055544

Structure parameters

• Formula: C58 H76 Mn3 N4 O12
• Calculated formula: C50 H56 Mn3 N4 O10
• Title of publication: Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand
• Authors of publication: Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6164
• a: 11.829 ± 0.004 Å
• b: 12.643 ± 0.004 Å
• c: 21.233 ± 0.006 Å
• α: 78.054 ± 0.013°
• β: 89.491 ± 0.013°
• γ: 64.271 ± 0.011°
• Cell volume: 2786.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1705
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3185
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No