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Information card for entry 2006101
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Coordinates | 2006101.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | bis(N-propionamido-α-alaninato)copper(II) hydrate |
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Formula | C12 H24 Cu N4 O7 |
Calculated formula | C12 H24 Cu N4 O7 |
SMILES | [Cu]12(OC(=O)[C@H]([NH]1CCC(=O)N)C)OC(=O)[C@H]([NH]2CCC(=O)N)C.O |
Title of publication | Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O |
Authors of publication | Chen, Wei; Lim, Meng-chay |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 5 |
Pages of publication | 539 - 543 |
a | 18.357 ± 0.003 Å |
b | 5.7887 ± 0.0004 Å |
c | 17.728 ± 0.003 Å |
α | 90° |
β | 119.52 ± 0.02° |
γ | 90° |
Cell volume | 1639.3 ± 0.5 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for all reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.073 |
Goodness-of-fit parameter for all reflections | 1.113 |
Goodness-of-fit parameter for significantly intense reflections | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006101.html
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