Information card for entry 2205266

Structure parameters

• Chemical name: Tris(pyridine-2-carboxylato-κ^2^0,N)cobalt(III) monohydrate
• Formula: C18 H14 Co N3 O7
• Calculated formula: C18 H14 Co N3 O7
• SMILES: [Co]123([n]4c(C(=O)O1)cccc4)([n]1c(C(=O)O2)cccc1)[n]1c(C(=O)O3)cccc1.O
• Title of publication: Tris(pyridine-2-carboxylato-κ^2^<i>O</i>,<i>N</i>)cobalt(III) monohydrate
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m481 - m482
• a: 29.654 ± 0.018 Å
• b: 8.53 ± 0.005 Å
• c: 13.801 ± 0.008 Å
• α: 90°
• β: 95.829 ± 0.01°
• γ: 90°
• Cell volume: 3473 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes