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Information card for entry 2233763
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| Coordinates | 2233763.cif |
|---|---|
| Structure factors | 2233763.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V) |
|---|---|
| Formula | C48 H40 N16 O12 Tb W |
| Calculated formula | C48 H40 N16 O12 Tb W |
| SMILES | C(#N)[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.c1cc(ccn1=[O][Tb]([OH2])([OH2])([OH2])([OH2])([O]=n1ccc(cc1)c1ccn(=O)cc1)([O]=n1ccc(cc1)c1ccn(=O)cc1)[O]=n1ccc(cc1)c1ccn(=O)cc1)c1ccn(cc1)=O |
| Title of publication | Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V) |
| Authors of publication | Shi, Yu-Sheng; Ran, Mao-Qian; Chen, Ying-Ying; Yuan, Ai-Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m288 |
| a | 17.9222 ± 0.0007 Å |
| b | 17.9222 ± 0.0007 Å |
| c | 7.8915 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2534.8 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.0158 |
| Residual factor for significantly intense reflections | 0.0138 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
2233763.cif 2233763.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. |
2233763.cif 2233763.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233763.cif 2233763.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. | 2233763.cif 2233763.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233763.cif 2233763.hkl |
| 51010 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233763 via cif-deposit CGI script. |
2233763.cif |
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Users of the data should acknowledge the original authors of the
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