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Information card for entry 7011692
Preview
Coordinates | 7011692.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H8 Cu N6 O6 S |
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Calculated formula | C12 H8 Cu N6 O6 S |
SMILES | [Cu]123(ON(=O)=[O]1)(ON(=O)=[O]2)[n]1c(c2nsnc2c2[n]3cccc2)cccc1 |
Title of publication | Mono- and di-nuclear complexes of the ligands 3,4-di(2-pyridyl)-1,2,5-oxadiazole and 3,4-di(2-pyridyl)-1,2,5-thiadiazole; new bridges allowing unusually strong metal‒metal interactions |
Authors of publication | Richardson, Chris; Steel, Peter J.; D'Alessandro, Deanna M.; Junk, Peter C.; Keene, F. Richard |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 13 |
Pages of publication | 2775 |
a | 7.7368 ± 0.0016 Å |
b | 8.1081 ± 0.0017 Å |
c | 12.933 ± 0.003 Å |
α | 96.838 ± 0.003° |
β | 100.565 ± 0.003° |
γ | 102.623 ± 0.003° |
Cell volume | 767.5 ± 0.3 Å3 |
Cell temperature | 168 ± 2 K |
Ambient diffraction temperature | 168 ± 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 | 0.0294 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 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/7011692.html
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