Information card for entry 8101914

Structure parameters

• Chemical name: methanol-[N,N'-o-phenylenebis(salicylaldiminato-N,N',O,O')](salicylaldehydato- O)manganese(III)
• Formula: C28 H23 Mn N2 O5
• Calculated formula: C28 H23 Mn N2 O5
• SMILES: [Mn]123([N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3)(Oc1ccccc1C=O)[OH]C
• Title of publication: Crystal structure of methanol[N,N'-o-phenylenebis(salicyl-aldiminato- N,N',O,O')](salicylaldehydato-O)manganese(III), Mn(CH~3~OH)(C~6~H~4~OCHO) [C~6~H~4~(C~6~H~4~OCHN)~2~]~2~
• Authors of publication: Wang, C.; Hou, Y.-Q.; Li, J.; Zhang, F.-X.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 51 - 52
• a: 10.3207 ± 0.0012 Å
• b: 13.5029 ± 0.0017 Å
• c: 17.39 ± 0.002 Å
• α: 90°
• β: 93.95 ± 0.002°
• γ: 90°
• Cell volume: 2417.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No