Information card for entry 2217223

Structure parameters

• Chemical name: Chlorido{4,4'-dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κO)manganese(III)
• Formula: C21 H16 Cl3 Mn N2 O3
• Calculated formula: C21 H16 Cl3 Mn N2 O3
• SMILES: [Mn]123(Cl)(Oc4ccc(Cl)cc4C=[N]2c2ccccc2[N]3=Cc2cc(Cl)ccc2O1)[OH]C
• Title of publication: Chlorido{4,4'-dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)manganese(III)
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Rohana Adnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m124 - m125
• a: 15.9183 ± 0.0004 Å
• b: 6.6305 ± 0.0002 Å
• c: 23.3399 ± 0.0006 Å
• α: 90°
• β: 124.672 ± 0.002°
• γ: 90°
• Cell volume: 2025.99 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes