Information card for entry 7002807

Structure parameters

• Common name: (Mn8O4(PhCO2)12(C7H17N2O)2) 2CH2CL2 1/2MeOH
• Formula: C98 H94 Mn8 N4 O32
• Calculated formula: C98 H94 Mn8 N4 O32
• Title of publication: Octanuclear manganese(ii,iii) clusters stabilized with diamino-alcoxo ligands
• Authors of publication: Escuer, Albert; Vicente, Ramon; Fallah, M. Salah El; Sañudo, E. Carolina; Teat, Simon J.; de Biani, Fabrizia Fabrizi; Zanello, Piero
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9924 - 9928
• a: 36.159 ± 0.003 Å
• b: 36.159 ± 0.003 Å
• c: 24.384 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27610 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No