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Information card for entry 2241590
Preview
| Coordinates | 2241590.cif |
|---|---|
| Structure factors | 2241590.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI) |
|---|---|
| Formula | C24 H56 Eu Mo12 N8 O48 P |
| Calculated formula | C24 H56 Eu Mo12 N8 O48 P |
| SMILES | [Eu]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Mo]1234(=O)O[Mo]567(O[Mo]89%10(O[Mo]%11%12%13(=O)O[Mo]%14%15%16(O[Mo]%17%18(O1)(O[Mo]1%19(O[Mo]%20(O%11)(O[Mo]%11%21(O[Mo]%22(O[Mo](=O)(O5)(O2)([O]36=P([O]1%20%11)([O]8%12%22)[O]%14%17[Mo](O7)(=O)(O9)(O%15)O%18)O%21)(=O)(O%10)O%13)(O%19)=O)(O%16)=O)(O4)=O)=O)=O)=O)=O |
| Title of publication | Crystal structure of octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI) |
| Authors of publication | Ghandour, Yassine; Hammami, Imen; Najmudin, Shabir; Bonifácio, Cecilia; Belkhiria, Mohamed Salah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 448 - 451 |
| a | 26.9108 ± 0.001 Å |
| b | 18.3506 ± 0.0006 Å |
| c | 13.4494 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6641.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1086 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241590.cif 2241590.hkl |
| 177593 | 2016-03-05 | cif/ hkl/ Adding structures of 2241590 via cif-deposit CGI script. |
2241590.cif 2241590.hkl |
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Users of the data should acknowledge the original authors of the
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