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Information card for entry 7006801
Preview
| Coordinates | 7006801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H64 N21 Na O48 Si W11 |
|---|---|
| Calculated formula | C10 H48 N21 Na O48 Si W11 |
| SMILES | [W]123(=O)(=O)O[W]45(=O)(=O)O[W]678(=O)O[W]9%10(=O)(O[W]%11%12(=O)(O6)O[W]6%13%14(=O)O[W]%15%16(=O)(=O)O[W](=O)(O6)(O1)(O9)[O]%14%16[Si]([O]35)([O]8%10%12)[O]13[W]5(=O)(O[W]1(=O)(=O)(O[W]3(=O)(O5)(O%11)O%13)O%15)(O4)O7)O2.[Na+].C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.CC(=O)C.O.O.O.O.O.O.O.O |
| Title of publication | Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates. |
| Authors of publication | Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 9 |
| Pages of publication | 1213 - 1217 |
| a | 12.098 ± 0.001 Å |
| b | 22.786 ± 0.001 Å |
| c | 11.955 ± 0.001 Å |
| α | 90° |
| β | 113.68 ± 0.001° |
| γ | 90° |
| Cell volume | 3018.1 ± 0.4 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.3282 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179772 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68. |
7006801.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006801.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006801.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006801.cif |
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Users of the data should acknowledge the original authors of the
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