Information card for entry 2010211

Structure parameters

• Chemical name: [N,N'-o-phenylenebis(salicylideneaminato)]bis(ethanol)manganese(III) tetraphenylborate
• Formula: C48 H48 B Mn N2 O4
• Calculated formula: C50 H49 B Mn N2 O4
• Title of publication: [Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds
• Authors of publication: McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1676 - 1678
• a: 11.967 ± 0.009 Å
• b: 18.125 ± 0.009 Å
• c: 19.502 ± 0.007 Å
• α: 90°
• β: 106.62 ± 0.03°
• γ: 90°
• Cell volume: 4053 ± 4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0669
• Goodness-of-fit parameter for significantly intense reflections: 1.512
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No