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Information card for entry 2005250
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Coordinates | 2005250.cif |
---|---|
Original IUCr paper | HTML |
Formula | C11 H27 Cl2 Cu N5 O8 |
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Calculated formula | C11 H27 Cl2 Cu N5 O8 |
SMILES | [Cu]123([N](CCC[NH2]1)(CCC[NH2]2)CCC[NH2]3)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | (Acetonitrile)[<i>N</i>,<i>N</i>-bis(3-aminopropyl)-1,3-propanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II) Diperchlorate |
Authors of publication | Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 8 |
Pages of publication | 1957 - 1959 |
a | 11.815 ± 0.003 Å |
b | 19.334 ± 0.002 Å |
c | 8.839 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2019.1 ± 0.7 Å3 |
Cell temperature | 294.2 K |
Ambient diffraction temperature | 294.2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.2274 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for all reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.0339 |
Goodness-of-fit parameter for significantly intense reflections | 1.581 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2005250.html
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