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Information card for entry 2241000
Preview
| Coordinates | 2241000.cif |
|---|---|
| Structure factors | 2241000.hkl |
| Original IUCr paper | HTML |
| Chemical name | [6',6"-Bis(pyridin-2-yl)-2,2':4',4":2",2"'-quaterpyridine](2,2'-bipyridine)chloridoruthenium(II) hexafluoridophosphate |
|---|---|
| Formula | C40 H28 Cl F6 N8 P Ru |
| Calculated formula | C40 H28 Cl F6 N8 P Ru |
| Title of publication | Crystal structure of a mononuclear Ru^II^ complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy‒tpy)]^+^ |
| Authors of publication | Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1017 - 1021 |
| a | 8.678 ± 0.004 Å |
| b | 13.743 ± 0.007 Å |
| c | 18.999 ± 0.01 Å |
| α | 94.913 ± 0.007° |
| β | 90.583 ± 0.007° |
| γ | 91.316 ± 0.007° |
| Cell volume | 2257 ± 2 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 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 | 0.0992 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241000.cif 2241000.hkl |
| 153387 | 2015-08-13 | cif/ hkl/ Adding structures of 2241000 via cif-deposit CGI script. |
2241000.cif 2241000.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.