Information card for entry 1500019

Structure parameters

• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: c1(O)c(cccc1)C(=NO)c1ccccc1
• Title of publication: Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br
• Authors of publication: Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 1292 - 1302
• a: 9.4668 ± 0.0007 Å
• b: 8.8177 ± 0.0006 Å
• c: 25.9413 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2165.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No