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Information card for entry 2225447
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| Coordinates | 2225447.cif |
|---|---|
| Structure factors | 2225447.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexakis(tetraaquasodium) decavanadate(V) dihydrate |
|---|---|
| Formula | H52 Na6 O54 V10 |
| Calculated formula | H52 Na6 O54 V10 |
| SMILES | [V]12345[O]6[V]789(=O)O[V]%10%11(=O)(O[V]%12%13%14(=O)[O]1[V]1%15%16(=O)[O]%14[V]%14%17%18([O]38%11%13[V](O7)(O%12)(O%10)(O%14)=O)[O]9[V]376(=O)O[V]6(O%15)(O[V](=O)(O1)(O3)(O%17)[O]4%16%1876)(O5)=O)O2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Hexakis(tetraaquasodium) decavanadate(V) dihydrate |
| Authors of publication | Nilsson, Jessica; Nordlander, Ebbe; Behrens, Ulrich; Rehder, Dieter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | i30 - i31 |
| a | 9.6144 ± 0.0009 Å |
| b | 11.726 ± 0.0011 Å |
| c | 11.8691 ± 0.0011 Å |
| α | 92.446 ± 0.001° |
| β | 113.582 ± 0.001° |
| γ | 100.274 ± 0.001° |
| Cell volume | 1197.01 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0259 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181175 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/54. |
2225447.cif 2225447.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225447.cif 2225447.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225447.cif 2225447.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. | 2225447.cif 2225447.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225447.cif 2225447.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225447.cif 2225447.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225447.cif |
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Users of the data should acknowledge the original authors of the
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