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Information card for entry 2214249
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| Coordinates | 2214249.cif |
|---|---|
| Structure factors | 2214249.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquacaesium(II)]bis(μ~3~-3-carboxypyrazine-2-carboxylato)] |
|---|---|
| Formula | C12 H10 Cs N4 O10 |
| Calculated formula | C12 H10 Cs N4 O10 |
| SMILES | C(=O)(c1c(C(=O)O)nccn1)[O-].O.[Cs+].c1cnc(c(C(=O)[O-])n1)C(=O)O.O |
| Title of publication | Poly[[diaquacaesium(I)]bis(μ~3~-3-carboxypyrazine-2-carboxylato)] |
| Authors of publication | Mustafa Tombul; Kutalmış Güven; Orhan Büyükgüngör |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | m1783 - m1784 |
| a | 7.4801 ± 0.0009 Å |
| b | 7.6352 ± 0.0009 Å |
| c | 8.6505 ± 0.0011 Å |
| α | 70.031 ± 0.009° |
| β | 81.126 ± 0.01° |
| γ | 66.128 ± 0.009° |
| Cell volume | 424.55 ± 0.1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0188 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0522 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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