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Information card for entry 7003273
Preview
| Coordinates | 7003273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H28 B9 Ir |
|---|---|
| Calculated formula | C10 H28 B9 Ir |
| SMILES | [Ir]12345678([BH]9%10%11[BH]%12%13%14[BH]%15%16%17[H][BH]%18%12%15[H][BH]9%13%18[BH]94%11[BH]43([BH]2%17([BH]1%10%14%16)[H]4)[H]9)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C |
| Title of publication | Expansion of iridaborane clusters by addition of monoborane. Novel metallaboranes and mechanistic detail |
| Authors of publication | Ghosh, Sundargopal; Noll, Bruce C.; Fehlner, Thomas P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 3 |
| Pages of publication | 371 |
| a | 8.3313 ± 0.0001 Å |
| b | 16.0536 ± 0.0002 Å |
| c | 13.2029 ± 0.0002 Å |
| α | 90° |
| β | 100.745 ± 0.001° |
| γ | 90° |
| Cell volume | 1734.89 ± 0.04 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179736 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32. |
7003273.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003273.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003273.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003273.cif |
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Users of the data should acknowledge the original authors of the
structural data.