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Information card for entry 4066506
Preview
| Coordinates | 4066506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Compound 7 ? |
|---|---|
| Formula | C42 H84 B N P2 Ru |
| Calculated formula | C42 H84 B N P2 Ru |
| SMILES | C(C)(C)N(C(C)C)[B]12[RuH2]([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([H]1)[H]2 |
| Title of publication | Ruthenium, Rhodium, and Iridium Bis(σ-B−H) Diisopropylaminoborane Complexes† |
| Authors of publication | Alcaraz, Gilles; Chaplin, Adrian B.; Stevens, Charlotte J.; Clot, Eric; Vendier, Laure; Weller, Andrew S.; Sabo-Etienne, Sylviane |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5591 |
| a | 12.2376 ± 0.0004 Å |
| b | 12.8156 ± 0.0005 Å |
| c | 15.0664 ± 0.0005 Å |
| α | 95.134 ± 0.003° |
| β | 92.258 ± 0.003° |
| γ | 111.936 ± 0.004° |
| Cell volume | 2176.24 ± 0.15 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178557 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/65. |
4066506.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066506.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066506.cif |
| 33914 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066505, 4066506, 4066507, 4066508 via cif-deposit CGI script. |
4066506.cif |
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