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Information card for entry 4077465
Preview
| Coordinates | 4077465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H32 B9 O P Ru |
|---|---|
| Calculated formula | C29 H32 B9 O P Ru |
| SMILES | [Ru]123456(C#[O])([CH]789[CH]%10%111[B]1%122([BH]2%133[BH]347[BH]47%13[BH]%13%122[BH]2%111[BH]18%10[BH]934[BH]7%1321)[CH]5=[CH]6c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes† |
| Authors of publication | Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A. |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 10 |
| Pages of publication | 1983 |
| a | 9.4769 ± 0.0016 Å |
| b | 10.7559 ± 0.0012 Å |
| c | 16.4336 ± 0.0018 Å |
| α | 109.085 ± 0.01° |
| β | 94.81 ± 0.013° |
| γ | 107.214 ± 0.012° |
| Cell volume | 1481.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178663 (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 4/07/74. |
4077465.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077465.cif |
| 54584 | 2012-04-28 | cif/ Adding structures of 4077464, 4077465, 4077466, 4077467, 4077468 via cif-deposit CGI script. |
4077465.cif |
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Users of the data should acknowledge the original authors of the
structural data.