Information card for entry 2215190

Structure parameters

• Common name: Diaqua[N,N'-bis(salicylidene)propylene-1,3-diiminato]manganese(III) chloride
• Chemical name: diaqua{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}manganese(III) chloride
• Formula: C17 H20 Cl Mn N2 O4
• Calculated formula: C17 H20 Cl Mn N2 O4
• SMILES: [Mn]123(Oc4ccccc4C=[N]2CCC[N]3=Cc2ccccc2O1)([OH2])[OH2].[Cl-]
• Title of publication: Diaqua[<i>N</i>,<i>N</i>'-bis(salicylidene)propanediamine(2‒)]manganese(III) chloride
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2337 - m2337
• a: 7.654 ± 0.0008 Å
• b: 10.2633 ± 0.001 Å
• c: 11.505 ± 0.0012 Å
• α: 102.622 ± 0.002°
• β: 92.777 ± 0.002°
• γ: 92.852 ± 0.002°
• Cell volume: 879.21 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes