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Information card for entry 4070882
Preview
| Coordinates | 4070882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (S,Rp)-1d |
|---|---|
| Formula | C43 H37 Cl5 Fe P2 Pd |
| Calculated formula | C43 H37 Cl5 Fe P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P](c2c([c]34[Fe]56789%10%11([c]3([cH]5[cH]6[cH]47)[C@@H]([P]1(c1ccccc1)c1ccccc1)C)[cH]1[cH]%11[cH]%10[cH]9[cH]81)cccc2)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl |
| Title of publication | Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands |
| Authors of publication | Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1119 |
| a | 11.566 ± 0.003 Å |
| b | 11.258 ± 0.003 Å |
| c | 15.813 ± 0.005 Å |
| α | 90° |
| β | 98.68 ± 0.01° |
| γ | 90° |
| Cell volume | 2035.4 ± 1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08. |
4070882.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070882.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070882.cif |
| 42820 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070881, 4070882, 4070883, 4070884, 4070885 via cif-deposit CGI script. |
4070882.cif |
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