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Information card for entry 4337941
Preview
| Coordinates | 4337941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 Cl F6 N8 O P Ru |
|---|---|
| Calculated formula | C23 H26 Cl F6 N8 O P Ru |
| SMILES | [Ru]12(Cl)([n]3n(ccc3)C(n3[n]1ccc3)n1[n]2ccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Synthesis, Structures, and Optical Properties of Ruthenium(II) Complexes of the Tris(1-pyrazolyl)methane Ligand. |
| Authors of publication | Coe, Benjamin J.; Helliwell, Madeleine; Peers, Martyn K.; Raftery, James; Rusanova, Daniela; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3798 |
| a | 11.491 ± 0.002 Å |
| b | 8.5395 ± 0.0017 Å |
| c | 28.167 ± 0.006 Å |
| α | 90° |
| β | 97.888 ± 0.004° |
| γ | 90° |
| Cell volume | 2737.8 ± 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 | 0.1129 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4337941.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337941.cif |
| 109927 | 2014-04-17 | cif/ Updating files of 4337941, 4337942, 4337943 Original log message: Adding full bibliography for 4337941--4337943.cif. |
4337941.cif |
| 108498 | 2014-04-02 | cif/ Adding structures of 4337941, 4337942, 4337943 via cif-deposit CGI script. |
4337941.cif |
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