Information card for entry 2235526

Structure parameters

• Chemical name: Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate
• Formula: C22 H31 Co N2 O9
• Calculated formula: C22 H31 Co N2 O9
• SMILES: [Co]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(OC)c2O1)(OC(=O)C)[OH2].OC.OC
• Title of publication: Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate
• Authors of publication: Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m962 - m963
• a: 9.6306 ± 0.0003 Å
• b: 13.4129 ± 0.0005 Å
• c: 17.9746 ± 0.0007 Å
• α: 90°
• β: 90.716 ± 0.003°
• γ: 90°
• Cell volume: 2321.67 ± 0.14 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes