Information card for entry 7043919

Structure parameters

• Formula: C29 H27 Cl2 Co N2 O3 Sn
• Calculated formula: C29 H27 Cl2 Co N2 O3 Sn
• SMILES: c12ccccc1C=[N]1CC[N]3=Cc4ccccc4[O]4[Co]513(c1ccccc1)[O]2[Sn]4(c1ccccc1)([O]5C)(Cl)Cl
• Title of publication: Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone
• Authors of publication: Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.5737 ± 0.0009 Å
• b: 17.3918 ± 0.0009 Å
• c: 19.3984 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5591.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No