Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073503
Preview
| Coordinates | 4073503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | VA YW244 [PdCl2(11c)].CH2Cl2 |
|---|---|
| Chemical name | (S~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- 3-phenyl-ferrocene)-dichloropalladium(II) dichloromethane solvate |
| Formula | C46 H44 Cl4 Fe P2 Pd |
| Calculated formula | C46 H44 Cl4 Fe P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P]([c]23[c]4([Fe]56789%102([c]4([cH]5[cH]36)c2ccccc2)[cH]2[cH]7[cH]8[cH]9[cH]%102)C[P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study |
| Authors of publication | Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 3530 |
| a | 9.7252 ± 0.0005 Å |
| b | 18.5716 ± 0.001 Å |
| c | 23.1105 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4174 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4073503.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073503.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073503.cif |
| 46381 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073500, 4073501, 4073502, 4073503 via cif-deposit CGI script. |
4073503.cif |
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.