Information card for entry 2238026

Structure parameters

• Chemical name: (Adipato-κ^2^<i>O</i>,<i>O</i>')diaqua[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(II) trihydrate
• Formula: C16 H27 Co N3 O9
• Calculated formula: C16 H27 Co N3 O9
• SMILES: [Co]12([O]=C(O1)CCCCC(=O)[O-])([OH2])([OH2])[n]1ccccc1Nc1[n]2cccc1.O.O.O
• Title of publication: (Adipato-κ^2^<i>O</i>,<i>O</i>')diaqua[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(II) trihydrate
• Authors of publication: Setifi, Zouaoui; Setifi, Fatima; Smith, Graham; El-Ghozzi, Malika; Rouag, Djamil-Azzeddine; Avignant, Daniel; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m335 - m336
• a: 9.9587 ± 0.0003 Å
• b: 10.5458 ± 0.0003 Å
• c: 11.0885 ± 0.0003 Å
• α: 100.887 ± 0.001°
• β: 105.891 ± 0.001°
• γ: 107.889 ± 0.001°
• Cell volume: 1017.38 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes