Information card for entry 2311371

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Formula: C20 H32 Co O9
• Calculated formula: C20 H32 Co O9
• SMILES: [Co]([OH2])([OH2][Co]([OH2])(OC(=O)c1c(C)cc(C)cc1C)([OH2])([OH2])OC(=O)c1c(C)cc(C)cc1C)(OC(=O)c1c(C)cc(C)cc1C)([OH2])OC(=O)c1c(C)cc(C)cc1C.O.O.O.O
• Title of publication: Crystal structure of <i>catena</i>-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ²<i>O</i>:<i>O</i>] dihydrate].
• Authors of publication: Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 708 - 712
• a: 29.5261 ± 0.0005 Å
• b: 10.1413 ± 0.0002 Å
• c: 8.0906 ± 0.0002 Å
• α: 90°
• β: 91.894 ± 0.004°
• γ: 90°
• Cell volume: 2421.27 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No