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Information card for entry 4079247
Preview
| Coordinates | 4079247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H47 B2 Fe2 O5 P Ru2 |
|---|---|
| Calculated formula | C45 H47 B2 Fe2 O5 P Ru2 |
| SMILES | [BH]12[Fe]3456([C]78([C]9%10([BH]%11%12[Fe]%13379(C(=O)[Ru]379%1426%12%13([c]2([c]%14([c]9([c]7([c]32C)C)C)C)C)[Ru]2367158%10%11[c]1([c]2([c]3([c]6([c]71C)C)C)C)C)(C#[O])C#[O])c1ccccc1)[P]4(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
| Title of publication | Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane |
| Authors of publication | Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 17 |
| Pages of publication | 6381 |
| a | 12.4637 ± 0.0003 Å |
| b | 15.0424 ± 0.0003 Å |
| c | 22.1121 ± 0.0004 Å |
| α | 90° |
| β | 93.363 ± 0.001° |
| γ | 90° |
| Cell volume | 4138.52 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0915 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.785 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178681 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/92. |
4079247.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079247.cif |
| 72372 | 2013-01-21 | cif/ Adding structures of 4079244, 4079245, 4079246, 4079247 via cif-deposit CGI script. |
4079247.cif |
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Users of the data should acknowledge the original authors of the
structural data.