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Information card for entry 4110656
Preview
| Coordinates | 4110656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H42 F12 N6 O5 P2 Ru2 |
|---|---|
| Calculated formula | C47 H42 F12 N6 O5 P2 Ru2 |
| SMILES | [Ru]123([n]4c(cc(c5ccccc45)C(=O)OCC)c4[n]1c1c(c(c4)C(=O)OCC)cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Toward Exceeding the Shockley-Queisser Limit: Photoinduced Interfacial Charge Transfer Processes that Store Energy in Excess of the Equilibrated Excited State |
| Authors of publication | Paul G. Hoertz; Aaron Staniszewski; Andras Marton; Gerard T. Higgins; Christopher D. Incarvito; Arnold L. Rheingold; Gerald J. Meyer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 8234 - 8245 |
| a | 17.5217 ± 0.0014 Å |
| b | 14.1894 ± 0.0011 Å |
| c | 18.7241 ± 0.0015 Å |
| α | 90° |
| β | 96.457 ± 0.001° |
| γ | 90° |
| Cell volume | 4625.7 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1953 |
| Weighted residual factors for all reflections included in the refinement | 0.2017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.472 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178877 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06. |
4110656.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110656.cif |
| 59472 | 2012-06-12 | cif/ Adding structures of 4110656 via cif-deposit CGI script. |
4110656.cif |
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Users of the data should acknowledge the original authors of the
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