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Information card for entry 4316027
Preview
| Coordinates | 4316027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H57 Cl7 F6 N3 P5 Rh |
|---|---|
| Calculated formula | C66 H57 Cl7 F6 N3 P5 Rh |
| SMILES | [Rh]123(Cl)[P](c4ccccc4)(c4ccccc4)n4c([P]3(c3c(c5ccccc5n3[P]1(c1ccccc1)c1ccccc1)C)c1c(c3ccccc3n1[P]2(c1ccccc1)c1ccccc1)C)c(c1ccccc41)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity |
| Authors of publication | Jeroen Wassenaar; Maxime A. Siegler; Anthony L. Spek; Bas de Bruin; Joost N. H. Reek; Jarl Ivar van der Vlugt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 6495 - 6508 |
| a | 13.211 ± 0.0006 Å |
| b | 15.3608 ± 0.0008 Å |
| c | 17.6791 ± 0.001 Å |
| α | 93.963 ± 0.002° |
| β | 110.874 ± 0.002° |
| γ | 101.654 ± 0.003° |
| Cell volume | 3243.8 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179240 (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 4/31/60. |
4316027.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316027.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316027.cif |
| 9201 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316027 via cif-deposit CGI script. |
4316027.cif |
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