Information card for entry 1544271

Structure parameters

• Formula: C40 H30 Co N2 O4
• Calculated formula: C40 H30 Co N2 O4
• SMILES: [Co]123(Oc4c(cccc4)C(=[O]1)c1ccccc1)(Oc1c(cccc1)C(=[O]2)c1ccccc1)[n]1c2c(ccc1C)ccc1ccc(C)[n]3c21
• Title of publication: Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O
• Authors of publication: Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika
• Journal of publication: Polyhedron
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1306 - 1316
• a: 11.3689 ± 0.0017 Å
• b: 16.701 ± 0.002 Å
• c: 17.007 ± 0.003 Å
• α: 90°
• β: 92.09 ± 0.003°
• γ: 90°
• Cell volume: 3227 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes