Information card for entry 2217689

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^O,O')aqua[salicylaldehyde nicotinoylhydrazonato(2-)-κ^3^O,N,O']manganese(III)
• Formula: C18 H18 Mn N3 O5
• Calculated formula: C18 H18 Mn N3 O5
• SMILES: [Mn]123(OC(=N[N]3=Cc3c(O1)cccc3)c1cnccc1)(OC(=CC(=[O]2)C)C)[OH2]
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')aqua[salicylaldehyde nicotinoylhydrazonato(2{-})-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(III)
• Authors of publication: Wang, Zeng-You; Liu, Shi-Xiong; Fu, Zhong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m371 - m372
• a: 17.462 ± 0.002 Å
• b: 9.5286 ± 0.0018 Å
• c: 11.529 ± 0.003 Å
• α: 90°
• β: 106.798 ± 0.005°
• γ: 90°
• Cell volume: 1836.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes