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Information card for entry 4073500
Preview
| Coordinates | 4073500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1191 - [PdCl2((R,Sp)-3)].2(C2H4Cl2) |
|---|---|
| Chemical name | ((R,S~p~)-1-Diphenylphosphino-2-(1-bis-(3,5-dimethylphenyl)phosphino)ethyl- ferrocene)-dichloropalladium(II), solvate with 1,2-dichloroethane (1:2) |
| Formula | C44 H48 Cl6 Fe P2 Pd |
| Calculated formula | C40 H40 Cl2 Fe P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P]([c]23[cH]4[Fe]56789%102([c]3([cH]5[cH]46)[C@H]([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)(c1ccccc1)c1ccccc1 |
| 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 | 9.348 ± 0.003 Å |
| b | 18.578 ± 0.006 Å |
| c | 26.781 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4651 ± 3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.1628 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.689 |
| 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. |
4073500.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073500.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073500.cif |
| 46381 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073500, 4073501, 4073502, 4073503 via cif-deposit CGI script. |
4073500.cif |
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