Information card for entry 2018563

Structure parameters

• Chemical name: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>- di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate
• Formula: C28 H36 Cl2 Co2 N8 O12
• Calculated formula: C28 H36 Cl2 Co2 N8 O12
• SMILES: c1cccc[n]1[Co]1234([NH]=C(O[Co]4([OH]1)([NH]=C(O3)C)([n]1ccccc1)([n]1ccccc1)[OH]2)C)[n]1ccccc1.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O
• Title of publication: The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate
• Authors of publication: Maass, John S.; Luck, Rudy L.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m233 - m234
• a: 10.6198 ± 0.0007 Å
• b: 10.244 ± 0.0007 Å
• c: 16.503 ± 0.001 Å
• α: 90°
• β: 92.167 ± 0.001°
• γ: 90°
• Cell volume: 1794.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes