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Information card for entry 4078860
Preview
| Coordinates | 4078860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H64 Cl2 F12 N10 P2 Ru |
|---|---|
| Calculated formula | C55 H64 Cl2 F12 N10 P2 Ru |
| SMILES | [Ru]12([N]#CC)([N]#CC)(=C3N(C=CN3CN3C=1N(C=C3)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)c1[n+](cn(c1)c1c(cc(cc1C)C)C)CN1C=CN(C=21)c1c(cc(cc1C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Steric Control at the Wingtip of a Bis-N-Heterocyclic Carbene Ligand: Coordination Behavior and Catalytic Responses of Its Ruthenium Compounds |
| Authors of publication | Saha, Sayantani; Ghatak, Tapas; Saha, Biswajit; Doucet, Henri; Bera, Jitendra K. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5500 |
| a | 11.98 ± 0.0016 Å |
| b | 13.501 ± 0.0018 Å |
| c | 19.619 ± 0.003 Å |
| α | 90.684 ± 0.002° |
| β | 91.549 ± 0.002° |
| γ | 111.316 ± 0.002° |
| Cell volume | 2954.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1132 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.2044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178677 (current) | 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 4/07/88. |
4078860.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078860.cif |
| 66416 | 2012-09-09 | cif/ Adding structures of 4078860, 4078861 via cif-deposit CGI script. |
4078860.cif |
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Users of the data should acknowledge the original authors of the
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