Information card for entry 4066362

Structure parameters

• Common name: 1-Co
• Formula: C22 H24 Cl2 Co N2 O2
• Calculated formula: C22 H24 Cl2 Co N2 O2
• SMILES: [Co]1(Cl)(Cl)[N]2C(COC=2c2ccccc2c2ccccc2C2OCC([N]1=2)(C)C)(C)C
• Title of publication: Aryl−Oxazoline Chelates of First-Row Transition Metals: Structures of {κ-C,N-(o-C6H4)CMe2(COCH2CMe2N)}FeCl(py) and [(κ-C,N-(o-C6H4)CMe2(COCH2CMe2N)}Cr(μ-Cl)]2‡
• Authors of publication: Volpe, Emily C.; Manke, David R.; Bartholomew, Erika R.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6642
• a: 15.555 ± 0.003 Å
• b: 10.169 ± 0.002 Å
• c: 28.108 ± 0.006 Å
• α: 90°
• β: 90.88 ± 0.03°
• γ: 90°
• Cell volume: 4445.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No