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Information card for entry 7052512
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| Coordinates | 7052512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | caesium hexa-chloro-monocarbadodecaborane |
|---|---|
| Formula | C H6 B11 Cl6 Cs |
| Calculated formula | C H6 B11 Cl6 Cs |
| Title of publication | Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] |
| Authors of publication | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie |
| Journal of publication | New J. Chem. |
| Year of publication | 2004 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 1499 - 1505 |
| a | 14.5462 ± 0.0002 Å |
| b | 8.8913 ± 0.0002 Å |
| c | 12.2784 ± 0.0003 Å |
| α | 90° |
| β | 97.01 ± 0.001° |
| γ | 90° |
| Cell volume | 1576.15 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (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 7/05/25. |
7052512.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7052512.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052512.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7052512.cif |
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Users of the data should acknowledge the original authors of the
structural data.