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Information card for entry 4068425
Preview
| Coordinates | 4068425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H87 O6.5 P3 Rh |
|---|---|
| Calculated formula | C74 H87 O6.5 P3 Rh |
| SMILES | O(CC)CC.c12c3cccc1O[P]1(Oc4c(c(c(cc4C(C)(C)C)C)C)c4c(O1)c(cc(c4C)C)C(C)(C)C)[Rh]2([P]1(Oc2c(c(c(cc2C(C)(C)C)C)C)c2c(O1)c(cc(c2C)C)C(C)(C)C)O3)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Rhodium Complexes with Pincer Diphosphite Ligands. Unusual Olefin in-Plane Coordination in Square-Planar Compounds† |
| Authors of publication | Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Álvarez, Eleuterio; Pizzano, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 547 |
| a | 24.7253 ± 0.0009 Å |
| b | 12.9836 ± 0.0004 Å |
| c | 21.7178 ± 0.0006 Å |
| α | 90° |
| β | 99.008 ± 0.002° |
| γ | 90° |
| Cell volume | 6885.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| 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 |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4068425.cif |
| 178574 | 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 4/06/84. |
4068425.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068425.cif |
| 39756 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068423, 4068424, 4068425, 4068426, 4068427, 4068428, 4068429 via cif-deposit CGI script. |
4068425.cif |
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Users of the data should acknowledge the original authors of the
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