Information card for entry 2015911

Structure parameters

• Chemical name: acetato(2,2'-{iminobis[(<i>E</i>)-propane-3,1- diylnitrilomethylylidyne]}diphenolato)cobalt(III)
• Formula: C22 H26 Co N3 O4
• Calculated formula: C22 H26 Co N3 O4
• SMILES: c12ccccc1C=[N]1CCC[NH]3CCC[N]4=Cc5ccccc5O[Co]134(OC(=O)C)O2
• Title of publication: A new polymorph of a cobalt(III) Schiff base complex exhibits a one-dimensional C—H···O hydrogen-bonded extended structure with helical 2~1~ symmetry
• Authors of publication: Munro, Orde Q.; Govender, Santham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m150 - m152
• a: 7.73 ± 0.002 Å
• b: 20.439 ± 0.003 Å
• c: 13.321 ± 0.002 Å
• α: 90°
• β: 104.169 ± 0.018°
• γ: 90°
• Cell volume: 2040.6 ± 0.7 ų
• Cell temperature: 100 ± 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 significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes