Information card for entry 2234411

Structure parameters

• Chemical name: Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) dimethylformamide monosolvate
• Formula: C21 H27 Cl Co N3 O6
• Calculated formula: C21 H27 Cl Co N3 O6
• SMILES: [Co]123(Cl)(Oc4c(C=[N]3CC[N]2=Cc2c(O1)c(OC)ccc2)cccc4OC)[OH2].O=CN(C)C
• Title of publication: Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) dimethylformamide monosolvate
• Authors of publication: Wei, Yun; Pang, Ting; Liu, Jiacheng; Li, Meng; Liang, Lili
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m455 - m456
• a: 13.1384 ± 0.0013 Å
• b: 13.3144 ± 0.0019 Å
• c: 14.012 ± 0.0009 Å
• α: 90°
• β: 110.198 ± 0.006°
• γ: 90°
• Cell volume: 2300.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.082
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes