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Information card for entry 1516450
Preview
| Coordinates | 1516450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H29 B Cl3 F8 N P Rh |
|---|---|
| Calculated formula | C30 H29 B Cl3 F8 N P Rh |
| SMILES | [Rh]1234([P](c5ccccc5)(c5ccccc5)CCC[N]1(C)C)[CH]1=[CH]2C2c5c(C1[CH]3=[CH]42)c(F)c(F)c(F)c5F.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-] |
| Title of publication | Cationic Rhodium Complexes with Hemilabile Phosphine Ligands as Polymerization Catalyst for High Molecular Weight Stereoregular Poly(phenylacetylene) |
| Authors of publication | Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Vispe, Eugenio; Lahoz, Fernando J.; Oro, Luis A. |
| Journal of publication | Macromolecules |
| Year of publication | 2009 |
| Journal volume | 42 |
| Journal issue | 21 |
| Pages of publication | 8146 |
| a | 12.355 ± 0.002 Å |
| b | 19.72 ± 0.003 Å |
| c | 12.934 ± 0.002 Å |
| α | 90° |
| β | 93.83 ± 0.003° |
| γ | 90° |
| Cell volume | 3144.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1027 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 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. |
1516450.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516450.cif |
| 114873 | 2014-05-29 | cif/ Adding structures of 1516449, 1516450 via cif-deposit CGI script. |
1516450.cif |
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Users of the data should acknowledge the original authors of the
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