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Information card for entry 4510814
Preview
| Coordinates | 4510814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 |
|---|---|
| Calculated formula | C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 |
| SMILES | [Pd]12([Cl][Pd]3([Cl]1)[N]1=C(N(S(=O)(=O)c4ccc(cc4)C)[C@@H]([C@H]1c1ccccc1)c1ccccc1)[c]14[Ru]56789%10%11([c]31[cH]7[cH]6[cH]45)[cH]1[cH]%11[cH]%10[cH]9[cH]81)[c]13[cH]4[Ru]56789%101([c]3([cH]5[cH]46)C1N(S(=O)(=O)c3ccc(cc3)C)[C@@H]([C@H]([N]2=1)c1ccccc1)c1ccccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101.C(Cl)Cl |
| Title of publication | Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene |
| Authors of publication | Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René |
| Journal of publication | ACS Catalysis |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 1850 |
| a | 11.5116 ± 0.0005 Å |
| b | 13.6607 ± 0.0006 Å |
| c | 39.4718 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6207.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179655 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08. |
4510814.cif |
| 119018 | 2014-07-05 | cif/ Updating files of 4510813, 4510814 Original log message: Adding full bibliography for 4510813--4510814.cif. |
4510814.cif |
| 113225 | 2014-05-09 | cif/ Adding structures of 4510814 via cif-deposit CGI script. |
4510814.cif |
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