Information card for entry 2241058

Structure parameters

• Chemical name: {2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II)
• Formula: C32 H28 Co Fe N4 O3
• Calculated formula: C32 H28 Co Fe N4 O3
• Title of publication: Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II): a Co^II^‒salen complex that forms hydrogen-bonded dimers
• Authors of publication: Brautigam, Bryan; Herholdt, Chelsea; Farnsworth, William; Brudi, Ellen; McDonald, Eric; Wu, Guang; Contakes, Stephen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1100 - 1104
• a: 10.684 ± 0.002 Å
• b: 11.989 ± 0.003 Å
• c: 13.858 ± 0.003 Å
• α: 80.22 ± 0.005°
• β: 85.234 ± 0.005°
• γ: 80.047 ± 0.005°
• Cell volume: 1720.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes