Information card for entry 2311583

Structure parameters

• Common name: <i>trans</i>-Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)ethane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chloridomanganese(III) monohydrate
• Chemical name: <i>trans</i>-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Formula: C16 H18 Cl Mn N2 O4
• Calculated formula: C16 H18 Cl Mn N2 O4
• SMILES: [Mn]123(Cl)(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)[OH2].O
• Title of publication: Packing polymorphism in the structure of <i>trans</i>-aqua-[<i>N</i>,<i>N</i>'-bis-(salicyl-idene)ethane-1,2-di-amine-κ⁴<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chlorido-manganese(III) monohydrate.
• Authors of publication: Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 12
• Pages of publication: 1778 - 1782
• a: 6.7083 ± 0.0004 Å
• b: 7.2414 ± 0.0005 Å
• c: 17.2768 ± 0.0013 Å
• α: 90°
• β: 92.153 ± 0.006°
• γ: 90°
• Cell volume: 838.67 ± 0.1 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No