Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019653
Preview
| Coordinates | 2019653.cif |
|---|---|
| Structure factors | 2019653.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^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate dichloromethane monosolvate |
|---|---|
| Formula | C43 H50 B Cl2 F4 P2 Rh |
| Calculated formula | C43 H50 B Cl2 F4 P2 Rh |
| 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 | 10.2285 ± 0.0002 Å |
| b | 13.9823 ± 0.0003 Å |
| c | 14.5131 ± 0.0004 Å |
| α | 90° |
| β | 108.265 ± 0.0012° |
| γ | 90° |
| Cell volume | 1971.06 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2019653.cif 2019653.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. |
2019653.cif 2019653.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. |
2019653.cif 2019653.hkl |
| 126175 | 2014-11-03 | cif/ Updating files of 2019652, 2019653 Original log message: Adding full bibliography for 2019652--2019653.cif. |
2019653.cif 2019653.hkl |
| 122797 | 2014-09-06 | cif/ hkl/ Adding structures of 2019652, 2019653 via cif-deposit CGI script. |
2019653.cif 2019653.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.