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Information card for entry 7052384
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| Coordinates | 7052384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetraethyleneammonium 1-phenyl-1-monocarba-6-iodo-undecaborane |
|---|---|
| Formula | C15 H33 B9 I N |
| Calculated formula | C15 H33 B9 I N |
| SMILES | I[B]1234[BH]567[C]89([BH]%10%115[BH]526[BH]26%11[BH]%111([BH]8%102[BH]379%11)[BH]456)c1ccccc1.[N+](CC)(CC)(CC)CC |
| Title of publication | Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra |
| Authors of publication | Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2006 |
| Journal volume | 30 |
| Journal issue | 10 |
| Pages of publication | 1390 |
| a | 9.151 ± 0.0002 Å |
| b | 14.8907 ± 0.0003 Å |
| c | 17.1566 ± 0.0004 Å |
| α | 90° |
| β | 104.576 ± 0.0008° |
| γ | 90° |
| Cell volume | 2262.6 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180077 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/23. |
7052384.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052384.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052384.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052384.cif |
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Users of the data should acknowledge the original authors of the
structural data.