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Information card for entry 2205099
Preview
Coordinates | 2205099.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis(4-hydroxybenzoato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')copper(II) |
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Formula | C26 H18 Cu N2 O6 |
Calculated formula | C26 H18 Cu N2 O6 |
SMILES | C(=O)(c1ccc(cc1)O)O[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)OC(=O)c1ccc(cc1)O |
Title of publication | Bis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) |
Authors of publication | Jian-Rong Su; Jian-Ming Gu; Duan-Jun Xu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m379 - m381 |
a | 19.9073 ± 0.0015 Å |
b | 10.2232 ± 0.0005 Å |
c | 11.0723 ± 0.0007 Å |
α | 90° |
β | 104.705 ± 0.002° |
γ | 90° |
Cell volume | 2179.6 ± 0.2 Å3 |
Cell temperature | 295 ± 3 K |
Ambient diffraction temperature | 295 ± 3 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/2205099.html
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