Information card for entry 2232341

Structure parameters

• Chemical name: <i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)
• Formula: C18 H12 Co N3 O6
• Calculated formula: C18 H12 Co N3 O6
• SMILES: c1c2C(=O)O[Co]34([n]2ccc1)([n]1ccccc1C(=O)O3)[n]1ccccc1C(=O)O4
• Title of publication: <i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)
• Authors of publication: Golenia, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Kalibabchuk, Valentina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1596 - m1597
• a: 12.8617 ± 0.0012 Å
• b: 12.8617 ± 0.0012 Å
• c: 6.2122 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 889.96 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 168
• Hermann-Mauguin space group symbol: P 6
• Hall space group symbol: P 6
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes