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Information card for entry 4318230
Preview
| Coordinates | 4318230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H41 Cl N2 O2 P Rh |
|---|---|
| Calculated formula | C39 H41 Cl N2 O2 P Rh |
| SMILES | [Rh]1(Cl)(P([C@H]([C@@H]([NH]1c1ccccc1)c1ccccc1)c1ccccc1N(C)C)(c1ccccc1)c1ccccc1)C#[O].O1CCCC1.[Rh]1(Cl)(P([C@@H]([C@H]([NH]1c1ccccc1)c1ccccc1)c1ccccc1N(C)C)(c1ccccc1)c1ccccc1)C#[O].O1CCCC1 |
| Title of publication | Synthesis, Coordination to Rh(I), and Hydroformylation Catalysis of New β-Aminophosphines Bearing a Dangling Nitrogen Group: An Unusual Inversion of a Rh-Coordinated P Center |
| Authors of publication | Jacques Andrieu; Philippe Richard; Jean-Michel Camus; Rinaldo Poli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 3876 - 3885 |
| a | 9.5846 ± 0.0001 Å |
| b | 18.3642 ± 0.0002 Å |
| c | 19.6147 ± 0.0002 Å |
| α | 90° |
| β | 93.46° |
| γ | 90° |
| Cell volume | 3446.16 ± 0.06 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0305 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179262 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82. |
4318230.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318230.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318230.cif |
| 14593 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4318230 via cif-deposit CGI script. |
4318230.cif |
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