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Information card for entry 7011432
Preview
Coordinates | 7011432.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(pyrrolidin-2-yl)-2,6-pyridine |
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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 Å3 |
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 |
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