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Information card for entry 1513216
Preview
| Coordinates | 1513216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | turro1923 |
|---|---|
| Formula | C41.55 H38.36 F12 N6 O P2 Ru |
| Calculated formula | C41.546 H38.364 F12 N6 O P2 Ru |
| SMILES | c1ccc2c3c4c(ccc[n]4[Ru]4([n]13)([n]1c(c3ccc6c(cccc6)[n]43)ccc3c1cccc3)([N]C#C)[n]1ccccc1)cc2.c1ccc2c3c4c(ccc[n]4[Ru]4([n]13)([n]1c(c3ccc6c(cccc6)[n]43)ccc3c1cccc3)([n]1ccccc1)[n]1ccccc1)cc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC |
| Title of publication | Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex. |
| Authors of publication | Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2013 |
| Journal volume | 117 |
| Journal issue | 50 |
| Pages of publication | 13885 - 13892 |
| a | 9.9878 ± 0.0003 Å |
| b | 11.866 ± 0.0003 Å |
| c | 18.5529 ± 0.0004 Å |
| α | 98.583 ± 0.002° |
| β | 92.11 ± 0.002° |
| γ | 99.059 ± 0.001° |
| Cell volume | 2142.96 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1513216.cif |
| 92049 | 2014-01-12 | cif/ Adding structures of 1513215, 1513216 via cif-deposit CGI script. |
1513216.cif |
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Users of the data should acknowledge the original authors of the
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