Information card for entry 2218010

Structure parameters

• Common name: Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Chemical name: Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Formula: C22 H20 Cl Mn N2 O3
• Calculated formula: C22 H20 Cl Mn N2 O3
• SMILES: [Mn]123(Cl)Oc4c(cccc4C=[N]2c2ccccc2[N]3=Cc2cccc(c2O1)C)C.O
• Title of publication: Chlorido{6,6'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m535 - m536
• a: 27.1836 ± 0.0006 Å
• b: 6.8033 ± 0.0001 Å
• c: 21.8896 ± 0.0004 Å
• α: 90°
• β: 108.976 ± 0.001°
• γ: 90°
• Cell volume: 3828.22 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes