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Information card for entry 2229259
Preview
| Coordinates | 2229259.cif |
|---|---|
| Structure factors | 2229259.hkl |
| Original IUCr paper | HTML |
| Chemical name | hexaaquaaluminium hexahydroxidooctadecaoxidomolybdochromate(III) decahydrate, |
|---|---|
| Formula | Al Cr H38 Mo6 O40 |
| Calculated formula | Al Cr H38 Mo6 O40 |
| SMILES | [Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cr]12345[OH]6[Mo]78(O[Mo]96(O[Mo]6(O[Mo]%10(O[Mo]%11(O[Mo](O7)([OH]18)(=O)([OH]3%11)=O)([OH]4%10)(=O)=O)([OH]56)(=O)=O)([OH]29)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | [Al(H~2~O)~6~][Cr(OH)~6~Mo~6~O~18~]·10H~2~O |
| Authors of publication | Li, Bao; Ye, Ling; Wu, Li-Xin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | i8 |
| a | 6.809 ± 0.005 Å |
| b | 11.267 ± 0.007 Å |
| c | 11.596 ± 0.009 Å |
| α | 101.26 ± 0.03° |
| β | 97.02 ± 0.03° |
| γ | 101.81 ± 0.03° |
| Cell volume | 841.7 ± 1.1 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (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 2/22/92. |
2229259.cif 2229259.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. |
2229259.cif 2229259.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229259.cif 2229259.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. | 2229259.cif 2229259.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229259.cif 2229259.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229259.cif 2229259.hkl |
| 12352 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229259 via cif-deposit CGI script. |
2229259.cif |
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Users of the data should acknowledge the original authors of the
structural data.