Information card for entry 4315465

Structure parameters

• Formula: C26 H16 Co F6 N2 O4 S2
• Calculated formula: C26 H16 Co F6 N2 O4 S2
• Title of publication: Isomerization Mechanisms of Stereolabile tris- and bis-Bidentate Octahedral Cobalt(II) Complexes: X-ray Structure and Variable Temperature and Pressure NMR Kinetic Investigations
• Authors of publication: Fabrice Riblet; Ghenadie Novitchi; Rosario Scopelliti; Lothar Helm; Aurelian Gulea; André E. Merbach
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4194 - 4211
• a: 7.9907 ± 0.0004 Å
• b: 10.9673 ± 0.0007 Å
• c: 15.2687 ± 0.001 Å
• α: 85.318 ± 0.005°
• β: 86.455 ± 0.005°
• γ: 85.81 ± 0.005°
• Cell volume: 1327.96 ± 0.14 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No