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Information card for entry 8101711
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| Coordinates | 8101711.cif |
|---|
| Chemical name | bis(tetrabutylammonium) tetradecabromohexamolybdate |
|---|---|
| Formula | C32 H72 Br14 Mo6 N2 |
| Calculated formula | C32 H72 Br14 Mo6 N2 |
| Title of publication | Crystal structure of bis(tetrabutylammonium) tetradecabromohexamolybdate, [(C~4~H~9~)~4~N]~2~[Mo~6~Br~14~], at 100 K and 293 K |
| Authors of publication | K. Kirakci; S. Cordier; T. Roisnel; S. Golhen; C. Perrin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 116 - 118 |
| a | 13.211 ± 0.0002 Å |
| b | 11.853 ± 0.0002 Å |
| c | 18.928 ± 0.0004 Å |
| α | 90° |
| β | 90.843 ± 0.001° |
| γ | 90° |
| Cell volume | 2963.61 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0972 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101711.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101711.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101711.cif |
| 12450 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101711 via cif-deposit CGI script. |
8101711.cif |
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