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Information card for entry 2019652
Preview
| Coordinates | 2019652.cif |
|---|---|
| Structure factors | 2019652.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane](η^4^-norbornadiene)rhodium(I) tetrafluoroborate |
|---|---|
| Formula | C41 H44 B F4 P2 Rh |
| Calculated formula | C41 H44 B F4 P2 Rh |
| SMILES | [Rh]1234([P]([C@@H]5CCC[C@@H]5[C@H]5CCC[C@H]5[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C2[C@H]3[C@H]4C1C2.[B](F)(F)(F)[F-] |
| Title of publication | Two precatalysts for application in asymmetric homogeneous hydrogenation |
| Authors of publication | Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 941 - 944 |
| a | 10.002 ± 0.002 Å |
| b | 9.0293 ± 0.0018 Å |
| c | 39.251 ± 0.008 Å |
| α | 90° |
| β | 95.17 ± 0.03° |
| γ | 90° |
| Cell volume | 3530.4 ± 1.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019652.cif 2019652.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019652.cif 2019652.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019652.cif 2019652.hkl |
| 126175 | 2014-11-03 | cif/ Updating files of 2019652, 2019653 Original log message: Adding full bibliography for 2019652--2019653.cif. |
2019652.cif 2019652.hkl |
| 122797 | 2014-09-06 | cif/ hkl/ Adding structures of 2019652, 2019653 via cif-deposit CGI script. |
2019652.cif 2019652.hkl |
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Users of the data should acknowledge the original authors of the
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