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Information card for entry 4106464
Preview
| Coordinates | 4106464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H104 B3 Cl8 Ir N2 P2 |
|---|---|
| Calculated formula | C67 H104 B3 Cl8 Ir N2 P2 |
| SMILES | [IrH2]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[H][BH]([NH](C)[BH2][NH2]C)[H]1.[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl.CCCCC |
| Title of publication | Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium |
| Authors of publication | Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 11076 - 11079 |
| a | 13.418 ± 0.003 Å |
| b | 14.765 ± 0.003 Å |
| c | 23.308 ± 0.006 Å |
| α | 72.626 ± 0.013° |
| β | 74.181 ± 0.01° |
| γ | 69.118 ± 0.012° |
| Cell volume | 4045.4 ± 1.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections | 0.1069 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4106464.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106464.cif |
| 53264 | 2012-04-18 | cif/ Adding structures of 4106464 via cif-deposit CGI script. |
4106464.cif |
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Users of the data should acknowledge the original authors of the
structural data.