Information card for entry 7011432

Structure parameters

• Chemical name: bis(pyrrolidin-2-yl)-2,6-pyridine
• Formula: C13 H25 Cl2 N3 O10
• Calculated formula: C13 H25 Cl2 N3 O10
• SMILES: [C@@H]1(CCC[NH2+]1)c1nc(ccc1)[C@@H]1CCC[NH2+]1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Carbonate binding to copper(ii) in solution: mixed-ligand complex formation and its application to the isolation and separation of the three isomers of [Cu(bpp)(H2O)][ClO4]2 [bpp = 2,6-bis(pyrrolidin-2-yl)pyridine]
• Authors of publication: Bernauer, Klaus; Cabort, Amel; Guicher, Nathalie; Stoeckli-Evans, Helen; Süss-Fink, Georg
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 2069
• a: 14.313 ± 0.006 Å
• b: 11.416 ± 0.004 Å
• c: 12.481 ± 0.005 Å
• α: 90°
• β: 91.15 ± 0.03°
• γ: 90°
• Cell volume: 2038.9 ± 1.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No