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Information card for entry 4505440
Preview
Coordinates | 4505440.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(imidazolium 2,6-dicaroboxypyridine) Cu(II) |
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Formula | C22 H20 Cu N6 O8 |
Calculated formula | C22 H20 Cu N6 O8 |
SMILES | c12[n]3c(C(=O)O[Cu]453(OC(=O)c3cccc(C(=O)O5)[n]43)OC2=O)ccc1.c1([nH]cc[nH+]1)C.c1([nH]cc[nH+]1)C |
Title of publication | Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes |
Authors of publication | MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2004 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 1203 |
a | 13.0714 ± 0.0007 Å |
b | 8.244 ± 0.0003 Å |
c | 11.9058 ± 0.0005 Å |
α | 90° |
β | 117.196 ± 0.001° |
γ | 90° |
Cell volume | 1141.14 ± 0.09 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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