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Information card for entry 4071971
Preview
| Coordinates | 4071971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H67 F5 P4 Pt2 |
|---|---|
| Calculated formula | C43 H67 F5 P4 Pt2 |
| SMILES | [Pt]1([P](CC)(CC)CC)(C#CC#CC#C[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc(C)cc1)([P](CC)(CC)CC)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups |
| Authors of publication | de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4979 |
| a | 13.5959 ± 0.0002 Å |
| b | 11.4504 ± 0.0002 Å |
| c | 30.672 ± 0.0005 Å |
| α | 90° |
| β | 90.788 ± 0.001° |
| γ | 90° |
| Cell volume | 4774.52 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071971.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071971.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071971.cif |
| 44151 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071968, 4071969, 4071970, 4071971 via cif-deposit CGI script. |
4071971.cif |
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Users of the data should acknowledge the original authors of the
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