Information card for entry 2224470

Structure parameters

• Chemical name: Chlorido{4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Formula: C36 H46 Cl Mn N2 O2
• Calculated formula: C36 H46 Cl Mn N2 O2
• SMILES: [Mn]123(Cl)Oc4c(cc(cc4C=[N]2c2ccccc2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Chlorido{4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1692 - m1693
• a: 10.765 ± 0.0006 Å
• b: 16.8997 ± 0.0009 Å
• c: 20.2324 ± 0.0011 Å
• α: 107.357 ± 0.003°
• β: 90.01 ± 0.003°
• γ: 107.294 ± 0.003°
• Cell volume: 3338.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.062
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes