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Information card for entry 4316053
Preview
| Coordinates | 4316053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H41 B4 O Ta2 |
|---|---|
| Calculated formula | C22 H41 B4 O Ta2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ta]16789%102345C(C)=[O]9[Ta]23459%11%12%10([c]%10([c]2([c]3([c]4([c]5%10C)C)C)C)C)[H][BH]([BH]69[BH]7%11[BH]([H]1)[H]%12)[H]8)C)C)C)C |
| Title of publication | Unusual Organic Chemistry of a Metallaborane Substrate: Formation of a Tantalaborane Complex with a Bridging Acyl Group (μ-η2) |
| Authors of publication | Shubhankar Kumar Bose; K. Geetharani; Babu Varghese; Sundargopal Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 6375 - 6377 |
| a | 19.6992 ± 0.0006 Å |
| b | 8.8435 ± 0.0002 Å |
| c | 15.8348 ± 0.0005 Å |
| α | 90° |
| β | 112.994 ± 0.001° |
| γ | 90° |
| Cell volume | 2539.4 ± 0.13 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179240 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60. |
4316053.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316053.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316053.cif |
| 9228 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316053 via cif-deposit CGI script. |
4316053.cif |
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Users of the data should acknowledge the original authors of the
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