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Information card for entry 4070883
Preview
| Coordinates | 4070883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | yw241 (R,Rp)-1f |
|---|---|
| Formula | C95 H63 Cl7 F30 Fe2 P4 Pd2 |
| Calculated formula | C95 H63 Cl7 F30 Fe2 P4 Pd2 |
| SMILES | [Pd]1(Cl)(Cl)[P](c2c([c]34[cH]5[Fe]6789%10%113([c]4([cH]6[cH]57)[C@H]([P]1(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)ccc(c2)C(F)(F)F)(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 | 12.3737 ± 0.0004 Å |
| b | 26.457 ± 0.0007 Å |
| c | 29.0299 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9503.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
4070883.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070883.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070883.cif |
| 42820 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070881, 4070882, 4070883, 4070884, 4070885 via cif-deposit CGI script. |
4070883.cif |
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