Information card for entry 2216799

Structure parameters

• Chemical name: Chlorido{4,4'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)
• Formula: C23 H22 Cl Mn N2 O5
• Calculated formula: C23 H22 Cl Mn N2 O5
• SMILES: [Mn]123(Cl)(Oc4ccc(OC)cc4C=[N]2c2c([N]3=Cc3c(O1)ccc(OC)c3)cccc2)[OH]C
• Title of publication: Chlorido{4,4'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3193 - m3194
• a: 12.2105 ± 0.0008 Å
• b: 7.5497 ± 0.0005 Å
• c: 22.4197 ± 0.0015 Å
• α: 90°
• β: 90.404 ± 0.001°
• γ: 90°
• Cell volume: 2066.7 ± 0.2 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: 0.0608
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes