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Information card for entry 2208326
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Coordinates | 2208326.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Aquadibenzoato(2,2'-bipyridine)cadmium(II) monohydrate |
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Formula | C24 H22 Cd N2 O6 |
Calculated formula | C24 H22 Cd N2 O6 |
SMILES | [Cd]123(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)([OH2])[n]1ccccc1c1[n]3cccc1.O |
Title of publication | Aquadibenzoato(2,2'-bipyridine)cadmium(II) monohydrate |
Authors of publication | Zhu, Long-Guan; Hu, Mao-Lin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m653 - m655 |
a | 9.9605 ± 0.0007 Å |
b | 10.916 ± 0.0007 Å |
c | 11.8547 ± 0.0008 Å |
α | 116.101 ± 0.001° |
β | 98.348 ± 0.001° |
γ | 91.999 ± 0.001° |
Cell volume | 1138.14 ± 0.13 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.036 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/2208326.html
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