Information card for entry 7043724

Structure parameters

• Formula: C28 H24 Co N6 O16
• Calculated formula: C28 H24 Co N6 O16
• SMILES: [Co]1234([OH]Cc5[n]3c(ccc5)C[OH]1)[OH]Cc1[n]4c(ccc1)C[OH]2.[O-]C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1.[O-]C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: A mononuclear Co(II) complex formed of pyridinedimethanol with manifold slow relaxation channels
• Authors of publication: Valigura, Dusan; Rajnak, Cyril; Moncol, Jan; Titis, Jan; Boca, Roman
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.9759 ± 0.0004 Å
• b: 13.8721 ± 0.0007 Å
• c: 14.703 ± 0.0007 Å
• α: 96.108 ± 0.004°
• β: 105.136 ± 0.004°
• γ: 100.589 ± 0.004°
• Cell volume: 1523.03 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.041
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No