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Information card for entry 7211947
Preview
| Coordinates | 7211947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 I2 P |
|---|---|
| Calculated formula | C24 H19 I2 P |
| SMILES | c1(c(c2ccccc2)cccc1)[P](c1ccccc1)(c1ccccc1)[I]I |
| Title of publication | Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)? |
| Authors of publication | Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 784 |
| a | 9.6409 ± 0.0003 Å |
| b | 9.8099 ± 0.0003 Å |
| c | 12.6275 ± 0.0004 Å |
| α | 73.631 ± 0.001° |
| β | 70.339 ± 0.001° |
| γ | 85.599 ± 0.002° |
| Cell volume | 1078.83 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.111 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211947.cif |
| 180450 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/19. |
7211947.cif |
| 92500 | 2014-01-12 | cif/ Adding structures of 7211947, 7211948, 7211949, 7211950, 7211951, 7211952 via cif-deposit CGI script. |
7211947.cif |
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Users of the data should acknowledge the original authors of the
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