Information card for entry 2242728

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>'}(nitro-κ<i>N</i>)(pyridine-κ<i>N</i>)cobalt(III)
• Formula: C21 H19 Co N4 O4
• Calculated formula: C21 H19 Co N4 O4
• SMILES: [Co]123(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)(N(=O)=O)[n]1ccccc1
• 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: 6.924 ± 0.002 Å
• b: 14.007 ± 0.003 Å
• c: 40.339 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3912.3 ± 1.6 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes