Information card for entry 2010939

Structure parameters

• Formula: C28 H22 Mn N3 O2
• Calculated formula: C28 H22 Mn N3 O2
• SMILES: [Mn]123(Oc4ccccc4C=[N]2[C@@H](c2ccccc2)[C@@H]([N]3=Cc2c(O1)cccc2)c1ccccc1)#N.[Mn]123(Oc4ccccc4C=[N]2[C@H](c2ccccc2)[C@H]([N]3=Cc2c(O1)cccc2)c1ccccc1)#N
• Title of publication: [1,2-Diphenyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato]nitridomanganese(V)
• Authors of publication: Iwamoto, Hirofumi; Tsuchimoto, Masanobu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e187 - e187
• a: 10.124 ± 0.004 Å
• b: 12.672 ± 0.003 Å
• c: 9.632 ± 0.002 Å
• α: 110.83 ± 0.02°
• β: 96.36 ± 0.03°
• γ: 85.32 ± 0.03°
• Cell volume: 1146.6 ± 0.6 ų
• Cell 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No