Information card for entry 7043918

Structure parameters

• Formula: C28 H24 Cl2 N2 Ni O2 Sn
• Calculated formula: C28 H24 Cl2 N2 Ni O2 Sn
• 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: 11.1756 ± 0.0006 Å
• b: 15.6737 ± 0.0009 Å
• c: 15.648 ± 0.0008 Å
• α: 90°
• β: 95.011 ± 0.002°
• γ: 90°
• Cell volume: 2730.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No