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Information card for entry 4511630
Preview
| Coordinates | 4511630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H54 Cl2 Li2 O12 P2 Pd2 S2 |
|---|---|
| Calculated formula | C48 H54 Cl2 Li2 O12 P2 Pd2 S2 |
| SMILES | c12c(cccc1)[P@](c1ccc(cc1)CO)(c1c(cccc1)OC)[Pd]1(C)[Cl][Li]3([O]1S2(=[O][Li]1([O]=C(C)C)[Cl][Pd]2(C)[O]1S(=O)(=[O]3)c1c(cccc1)[P@@]2(c1ccc(cc1)CO)c1c(cccc1)OC)=O)[O]=C(C)C |
| Title of publication | Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization |
| Authors of publication | Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan |
| Journal of publication | ACS Catalysis |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 8 |
| Pages of publication | 2672 |
| a | 9.6353 ± 0.0006 Å |
| b | 10.7338 ± 0.0006 Å |
| c | 13.7048 ± 0.0008 Å |
| α | 103.819 ± 0.005° |
| β | 93.508 ± 0.005° |
| γ | 106.9 ± 0.004° |
| Cell volume | 1303.85 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511630.cif |
| 179663 | 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 4/51/16. |
4511630.cif |
| 121129 | 2014-08-05 | cif/ Updating files of 4511628, 4511629, 4511630, 4511631 Original log message: Adding full bibliography for 4511628--4511631.cif. |
4511630.cif |
| 120358 | 2014-07-15 | cif/ Adding structures of 4511628, 4511629, 4511630, 4511631 via cif-deposit CGI script. |
4511630.cif |
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Users of the data should acknowledge the original authors of the
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