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Information card for entry 2233913
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| Coordinates | 2233913.cif |
|---|---|
| Structure factors | 2233913.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium |
|---|---|
| Formula | C24 H38 Li6 N12 O26 |
| Calculated formula | C24 H38 Li6 N12 O26 |
| SMILES | [NH3+]N.[NH3+]N.O=C1O[Li]23([OH2])OC(=O)c4ccc5C(=O)O[Li]6([OH2])(OC(=O)c7ccc1[n]2[n]67)[n]5[n]34.O=C1O[Li]23([OH2])[n]4c1ccc1C(=O)[O]([Li]5([OH2])(OC(=O)c6ccc(C(=O)[O]3[Li]([OH2])([OH2])[OH2])[n]2[n]56)[n]41)[Li]([OH2])([OH2])[OH2] |
| Title of publication | Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium |
| Authors of publication | Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m324 - m325 |
| a | 7.0999 ± 0.0014 Å |
| b | 7.239 ± 0.0014 Å |
| c | 22.608 ± 0.005 Å |
| α | 86.4 ± 0.03° |
| β | 87.68 ± 0.03° |
| γ | 61.49 ± 0.03° |
| Cell volume | 1019 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0979 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181261 (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 2/23/39. |
2233913.cif 2233913.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. |
2233913.cif 2233913.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233913.cif 2233913.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233913.cif 2233913.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233913.cif 2233913.hkl |
| 51165 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233913 via cif-deposit CGI script. |
2233913.cif |
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Users of the data should acknowledge the original authors of the
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