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Information card for entry 4333338
Preview
| Coordinates | 4333338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H50 F12 N6 O2 P2 Ru |
|---|---|
| Calculated formula | C61 H50 F12 N6 O2 P2 Ru |
| Title of publication | Light-Induced Geometrical Changes in Acyclic Ruthenium(II) Complexes and Their Ruthena−Macrocyclic Analogues |
| Authors of publication | Bonnet, Sylvestre; Collin, Jean-Paul; Sauvage, Jean-Pierre |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 10520 - 10533 |
| a | 25.9568 ± 0.0002 Å |
| b | 25.9568 ± 0.0002 Å |
| c | 37.3385 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 25157 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections | 1.366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333338.cif |
| 179436 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333338.cif |
| 98939 | 2014-01-30 | cif/ Adding structures of 4333338 via cif-deposit CGI script. |
4333338.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.