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Information card for entry 4079701
Preview
| Coordinates | 4079701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H42 F12 N12 P2 Ru |
|---|---|
| Calculated formula | C42 H42 F12 N12 P2 Ru |
| SMILES | [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1cc(c2nnn(CCCC)c2)ccc1c1[n]3cc(cc1)c1nnn(c1)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Redox-Asymmetric Bisruthenium Complex Bridged by a Pyridin-4-yl Moiety: Synthesis, Characterization, and Electronic Coupling Studies |
| Authors of publication | Yang, Wen-Wen; Yao, Jiannian; Zhong, Yu-Wu |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 24 |
| Pages of publication | 8577 |
| a | 11.887 ± 0.003 Å |
| b | 14.052 ± 0.003 Å |
| c | 14.801 ± 0.003 Å |
| α | 78.24 ± 0.012° |
| β | 78.94 ± 0.01° |
| γ | 84.63 ± 0.013° |
| Cell volume | 2371.6 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1623 |
| Residual factor for significantly intense reflections | 0.1199 |
| Weighted residual factors for significantly intense reflections | 0.3025 |
| Weighted residual factors for all reflections included in the refinement | 0.3381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4079701.cif |
| 178686 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/97. |
4079701.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079701.cif |
| 72531 | 2013-01-21 | cif/ Adding structures of 4079701 via cif-deposit CGI script. |
4079701.cif |
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