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Information card for entry 2205097
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Coordinates | 2205097.cif |
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Original IUCr paper | HTML |
Chemical name | μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate |
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Formula | C48 H40 Cl2 Cu2 N8 O14 |
Calculated formula | C48 H40 Cl2 Cu2 N8 O14 |
SMILES | c1cccc2[n]1[Cu]1([n]3ccccc3c3[n]1cccc3)(OC(=O)c1ccc(C(=O)O[Cu]34([n]5ccccc5c5cccc[n]35)[n]3ccccc3c3[n]4cccc3)cc1)[n]1c2cccc1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O |
Title of publication | μ-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] bis(perchlorate) dihydrate |
Authors of publication | Sai-Zhen Yang; Xin-Hua Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m356 - m357 |
a | 9.9505 ± 0.0014 Å |
b | 11.1049 ± 0.0014 Å |
c | 12.1187 ± 0.0014 Å |
α | 74.621 ± 0.002° |
β | 66.75 ± 0.002° |
γ | 89.352 ± 0.002° |
Cell volume | 1179.7 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/2205097.html
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