Information card for entry 2242690

Structure parameters

• Chemical name: <i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(nitro)(pyridine-κ<i>N</i>)cobalt(III)
• Formula: C15 H19 Co N2 O6
• Calculated formula: C15 H19 Co N2 O6
• SMILES: [Co]12([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)(N(=O)=O)[n]1ccccc1
• Title of publication: Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)
• Authors of publication: Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1637 - 1642
• a: 8.1971 ± 0.0014 Å
• b: 13.942 ± 0.002 Å
• c: 7.4148 ± 0.0011 Å
• α: 90°
• β: 91.588 ± 0.006°
• γ: 90°
• Cell volume: 847.1 ± 0.2 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes