Information card for entry 2242729

Structure parameters

• Chemical name: <i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(4-methylpyridine-κ<i>N</i>)(nitro-κ<i>N</i>)cobalt(III)
• Formula: C22 H21 Co N4 O4
• Calculated formula: C22 H21 Co N4 O4
• SMILES: [Co]123(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)(N(=O)=O)[n]1ccc(cc1)C
• Title of publication: Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)
• Authors of publication: Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1759 - 1763
• a: 9.743 ± 0.0004 Å
• b: 18.0136 ± 0.0006 Å
• c: 12.8488 ± 0.0005 Å
• α: 90°
• β: 106.476 ± 0.001°
• γ: 90°
• Cell volume: 2162.45 ± 0.14 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 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: 0.0857
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes