Information card for entry 4345263

Structure parameters

• Formula: C21 H25 Co N3 O5
• Calculated formula: C21 H25 Co N3 O5
• SMILES: [Co]123Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OC.O=CN(C)C
• Title of publication: Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.
• Authors of publication: Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3713 - 3718
• a: 6.8437 ± 0.001 Å
• b: 12.1711 ± 0.0018 Å
• c: 24.299 ± 0.004 Å
• α: 78.1968 ± 0.0018°
• β: 88.5136 ± 0.0018°
• γ: 88.5502 ± 0.0018°
• Cell volume: 1980.1 ± 0.5 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No