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Information card for entry 2233786
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| Coordinates | 2233786.cif |
|---|---|
| Structure factors | 2233786.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate] |
|---|---|
| Formula | C6 H12 Nd2 O18 |
| Calculated formula | C6 H12 Nd2 O18 |
| SMILES | [Nd]([OH2])[OH2].[Nd]([OH2])[OH2].O.O.C(=O)([O-])C(=O)[O-].C(=O)([O-])C(=O)[O-].C(=O)([O-])C(=O)[O-] |
| Title of publication | Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate] |
| Authors of publication | Cao, Gao-Juan; Rong, Cheng; Li, Qing-lu; Jiang, Wen-Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m289 |
| a | 6.036 ± 0.003 Å |
| b | 7.603 ± 0.003 Å |
| c | 8.906 ± 0.004 Å |
| α | 98.386 ± 0.006° |
| β | 99.742 ± 0.003° |
| γ | 96.802 ± 0.005° |
| Cell volume | 394.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0218 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.0446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233786.cif 2233786.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. |
2233786.cif 2233786.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233786.cif 2233786.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. | 2233786.cif 2233786.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233786.cif 2233786.hkl |
| 51037 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233786 via cif-deposit CGI script. |
2233786.cif |
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Users of the data should acknowledge the original authors of the
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