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Information card for entry 4064147
Preview
| Coordinates | 4064147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H35 F6 N3 O P Rh |
|---|---|
| Calculated formula | C33 H35 F6 N3 O P Rh |
| SMILES | [Rh]12345([CH]6=[CH]1c1c([CH]2=[CH]3c2c6cccc2)cccc1)[n]1c(cccc1C)C[NH]5Cc1cccc(C)[n]41.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C |
| Title of publication | Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation |
| Authors of publication | Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 7 |
| Pages of publication | 1902 |
| a | 28.5187 ± 0.0008 Å |
| b | 11.2036 ± 0.0003 Å |
| c | 19.4833 ± 0.0004 Å |
| α | 90° |
| β | 101.351 ± 0.001° |
| γ | 90° |
| Cell volume | 6103.4 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064147.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064147.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064147.cif |
| 32801 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064147, 4064148, 4064149, 4064150 via cif-deposit CGI script. |
4064147.cif |
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