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Information card for entry 2021528
Preview
| Coordinates | 2021528.cif |
|---|---|
| Structure factors | 2021528.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-(4,8-di-<i>tert</i>-butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>]\ [1,3,2]dioxaphosphepin-6-yl)oxy]-1:2κ^2^<i>P</i>:\ <i>O</i>;\ 1:2κ^2^<i>O</i>:<i>P</i>-bis{[6-([1,1'-biphenyl]-2-yloxy)-4,8-di-<i>tert</i>-\ butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-\ κ<i>P</i>]carbonylrhodium} toluene tatrasolvate |
|---|---|
| Formula | C142 H162 O22 P4 Rh2 |
| Calculated formula | C142 H162 O22 P4 Rh2 |
| SMILES | [Rh]1([P]2(Oc3c(cccc3)c3ccccc3)Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)([P]2(Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)O[Rh]([P]2(Oc3ccccc3c3ccccc3)Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)([P]2(Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)O1)C#[O])C#[O].c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | A dinuclear phosphite rhodium(I) complex obtained by syngas treatment of a Rh/hydroxy phosphonite olefin hydroformylation precatalyst |
| Authors of publication | Selent, Detlef; Spannenberg, Anke; Kubis, Christoph; Börner, Armin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 398 - 401 |
| a | 13.41 ± 0.0005 Å |
| b | 15.5455 ± 0.0005 Å |
| c | 31.157 ± 0.0011 Å |
| α | 90° |
| β | 98.743 ± 0.0014° |
| γ | 90° |
| Cell volume | 6419.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214913 (current) | 2019-05-03 | cif/ Updating files of 2021528 Original log message: Adding full bibliography for 2021528.cif. |
2021528.cif 2021528.hkl |
| 213997 | 2019-03-06 | cif/ hkl/ Adding structures of 2021528 via cif-deposit CGI script. |
2021528.cif 2021528.hkl |
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