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Information card for entry 2002995
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| Coordinates | 2002995.cif |
|---|---|
| Structure factors | 2002995.hkl |
| Original IUCr paper | HTML |
| Formula | C8 H18 Cd O11 |
|---|---|
| Calculated formula | C8 H14 Cd O11 |
| Title of publication | An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O |
| Authors of publication | Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 657 - 662 |
| a | 7.304 ± 0.003 Å |
| b | 9.981 ± 0.003 Å |
| c | 19.956 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1454.8 ± 0.9 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for all reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Goodness-of-fit parameter for all reflections | 1.119 |
| Goodness-of-fit parameter for significantly intense reflections | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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