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Information card for entry 1513286
Preview
| Coordinates | 1513286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H34 B F4 Rh |
|---|---|
| Calculated formula | C40 H34 B F4 Rh |
| SMILES | [Rh]12345678([cH]9[cH]1[cH]2[cH]3[cH]4[c]59[B](c1ccccc1)(c1ccccc1)c1ccccc1)[C]1(=[C]8(C2[C]6(=[C]7(C1c1c2c(F)c(F)c(F)c1F)C)C)C)C |
| Title of publication | Polymerization of Phenylacetylenes with Rhodium Zwitterionic Complexes: Enhanced Catalytic Activity by π-Acidic Diene Ligands |
| Authors of publication | Onishi, Naoya; Shiotsuki, Masashi; Sanda, Fumio; Masuda, Toshio |
| Journal of publication | Macromolecules |
| Year of publication | 2009 |
| Journal volume | 42 |
| Journal issue | 12 |
| Pages of publication | 4071 |
| a | 10.267 ± 0.006 Å |
| b | 11.174 ± 0.007 Å |
| c | 15.202 ± 0.01 Å |
| α | 101.382 ± 0.005° |
| β | 106.071 ± 0.008° |
| γ | 97.165 ± 0.007° |
| Cell volume | 1612.9 ± 1.7 Å3 |
| Cell temperature | 143.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513286.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1513286.cif |
| 99207 | 2014-01-30 | cif/ Adding structures of 1513286 via cif-deposit CGI script. |
1513286.cif |
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Users of the data should acknowledge the original authors of the
structural data.