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Information card for entry 4341119
Preview
| Coordinates | 4341119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H80 Cl4 Cu4 O4 P4 |
|---|---|
| Calculated formula | C96 H80 Cl4 Cu4 O4 P4 |
| SMILES | c1(ccccc1)[P]1([C@@H](c2cccc(c2)[C@@H]([P](c2ccccc2)(c2ccccc2)[Cu]23[Cl][Cu]4513[Cl]2[Cu]1235[P](c5ccccc5)(c5ccccc5)[C@@H](CC(=O)c5ccccc5)c5cccc(c5)[C@H]([P](c5ccccc5)(c5ccccc5)[Cu]3([Cl]1)[Cl]42)CC(=O)c1ccccc1)CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1 |
| Title of publication | A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters. |
| Authors of publication | Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10232 - 10239 |
| a | 12.6496 ± 0.0009 Å |
| b | 13.5286 ± 0.0009 Å |
| c | 14.9416 ± 0.001 Å |
| α | 64.969 ± 0.003° |
| β | 80.065 ± 0.004° |
| γ | 62.687 ± 0.004° |
| Cell volume | 2057.8 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0846 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179514 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11. |
4341119.cif |
| 126991 | 2014-11-12 | cif/ Updating files of 4341116, 4341117, 4341118, 4341119, 4341120, 4341121 Original log message: Adding full bibliography for 4341116--4341121.cif. |
4341119.cif |
| 124104 | 2014-09-23 | cif/ Adding structures of 4341119 via cif-deposit CGI script. |
4341119.cif |
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