Information card for entry 7052949

Structure parameters

• Formula: C20 H42 Co2 N4 O14
• Calculated formula: C20 H34 Co2 N4 O14
• SMILES: C1(=O)[C@@H]2CCC[NH]2[Co]23([NH]4[C@H](C(=O)O3)CCC4)([OH][Co]34([NH]5[C@H](C(=O)O4)CCC5)([NH]4[C@H](C(=O)O3)CCC4)[OH]2)O1.O.O.O.O
• Title of publication: Synthesis, structure, circular dichroism of a Δ(−)546-di-μ-hydroxo-tetrakis(S-prolinato)dicobalt(iii) complex and NMR study of its interaction with chiral and non-chiral probes in solutions
• Authors of publication: Prikhod'ko, Alexander; Pointillart, Fabrice; Golhen, Stéphane; Gavrilenko, Konstantin S.; Ouahab, Lahcène; Kolotilov, Sergey V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 2070
• a: 11.9596 ± 0.0003 Å
• b: 12.1855 ± 0.0002 Å
• c: 19.6639 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2865.69 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No