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Information card for entry 2237978
Preview
| Coordinates | 2237978.cif |
|---|---|
| Structure factors | 2237978.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate] |
|---|---|
| Formula | C8 H32 Li2 N4 O22 P6 |
| Calculated formula | C8 H32 Li2 N4 O22 P6 |
| SMILES | C1[NH2+]CC[NH2+]C1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].O.O.C1C[NH2+]CC[NH2+]1.[Li+].[Li+].O.O |
| Title of publication | Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate] |
| Authors of publication | Ameur, Iness; Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m305 - m306 |
| a | 10.245 ± 0.003 Å |
| b | 12.966 ± 0.004 Å |
| c | 10.91 ± 0.004 Å |
| α | 90° |
| β | 111 ± 0.03° |
| γ | 90° |
| Cell volume | 1353 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1142 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.56085 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/79. |
2237978.cif 2237978.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237978.cif 2237978.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237978.cif 2237978.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237978.cif 2237978.hkl |
| 86675 | 2013-07-11 | cif/ Adding structures of 2237978 via cif-deposit CGI script. |
2237978.cif |
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Users of the data should acknowledge the original authors of the
structural data.