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Information card for entry 2240399
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| Coordinates | 2240399.cif |
|---|---|
| Structure factors | 2240399.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dipotassium heptahydrogen hexamolybdochromate(III) octahydrate |
|---|---|
| Formula | Cr H23 K2 Mo6 O32 |
| Calculated formula | Cr H23 K2 Mo6 O32 |
| SMILES | [Cr]12345[O]6[Mo]78([O]1[Mo]1([OH]2[Mo]2([O]3[Mo]3([O]4[Mo]4([OH]5[Mo]6(O4)(O8)(=O)=O)(O3)(=O)=O)(O2)(=O)=O)([OH]1)(=O)=O)(O7)(=O)=O)(=O)=O.[K+].[K+].O.O.O.O.O.O.O.O |
| Title of publication | Crystal structure of the Anderson-type heteropolyoxometalate; K~2~[H~7~Cr^III^Mo~6~O~24~]·8H~2~O: a redetermination revealing the position of the extra H atom in the polyanion |
| Authors of publication | Joo, Hea-Chung; Park, Ki-Min; Lee, Uk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 157 - 160 |
| a | 10.4588 ± 0.0002 Å |
| b | 10.8553 ± 0.0002 Å |
| c | 12.6287 ± 0.0003 Å |
| α | 99.296 ± 0.001° |
| β | 94.469 ± 0.001° |
| γ | 99.283 ± 0.001° |
| Cell volume | 1388.44 ± 0.05 Å3 |
| Cell temperature | 446 ± 2 K |
| Ambient diffraction temperature | 446 ± 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 | 0.0244 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184482 (current) | 2016-07-15 | Fixing a few Z values and formulae |
2240399.cif 2240399.hkl |
| 181903 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240399.cif 2240399.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240399.cif 2240399.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240399.cif 2240399.hkl |
| 129976 | 2015-01-18 | cif/ hkl/ Adding structures of 2240399 via cif-deposit CGI script. |
2240399.cif 2240399.hkl |
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Users of the data should acknowledge the original authors of the
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