Information card for entry 2231240

Structure parameters

• Chemical name: (2-Cyanophenolato-κ<i>O</i>){2,2'- [ethylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Formula: C23 H20 Mn N3 O4
• Calculated formula: C23 H20 Mn N3 O4
• SMILES: c12ccccc1C=[N]1CC[N]3[Mn]1(O2)(Oc1ccccc1C#N)Oc1c(C=3)cccc1.O
• Title of publication: Dimeric (2-cyanophenolato-κ<i>O</i>){2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Authors of publication: Zidane, Youcef; Ourari, Ali; Mousser, Hénia; Mousser, Abdelhamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1069 - m1070
• a: 12.8693 ± 0.0003 Å
• b: 14.2487 ± 0.0003 Å
• c: 11.6357 ± 0.0003 Å
• α: 90°
• β: 104.297 ± 0.001°
• γ: 90°
• Cell volume: 2067.57 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0548
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes