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Information card for entry 2219815
Preview
Coordinates | 2219815.cif |
---|---|
Structure factors | 2219815.hkl |
Original IUCr paper | HTML |
Chemical name | (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4-hydroxybenzoato- κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)copper(II) |
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Formula | C21 H17 Cu N3 O6 |
Calculated formula | C21 H17 Cu N3 O6 |
SMILES | [Cu]12([O]=C(O1)c1ccc(O)cc1)(ON(=O)=O)[n]1c(C)ccc3ccc4ccc([n]2c4c13)C |
Title of publication | (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)copper(II) |
Authors of publication | Zhai, Cui-Ping; Yan, Feng-Mei; Zhao, Pei-Zheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 11 |
Pages of publication | m1479 |
a | 9.594 ± 0.001 Å |
b | 9.802 ± 0.001 Å |
c | 12.347 ± 0.001 Å |
α | 78.687 ± 0.014° |
β | 70.409 ± 0.013° |
γ | 63.74 ± 0.012° |
Cell volume | 979.4 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2219815.html
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Users of the data should acknowledge the original authors of the
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