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Information card for entry 4072106
Preview
| Coordinates | 4072106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H45 F12 N5 O2 P2 Ru |
|---|---|
| Calculated formula | C33 H45 F12 N5 O2 P2 Ru |
| SMILES | C(Cc1ccccc1)(=[Ru]123([n]4cccc5c4c4c(ccc[n]14)cc5)[N]1(CC[N]2(CC[N]3(CC1)C)C)C)OC.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ruthenium Carbene and Allenylidene Complexes Supported by the Tertiary Amine−Aromatic Diimine Ligand Set: Structural, Spectroscopic, and Theoretical Studies |
| Authors of publication | Wong, Chun-Yuen; Lai, Lo-Ming; Lam, Chi-Yeung; Zhu, Nianyong |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5806 |
| a | 10.237 ± 0.002 Å |
| b | 16.822 ± 0.003 Å |
| c | 22.528 ± 0.005 Å |
| α | 90° |
| β | 97.73 ± 0.03° |
| γ | 90° |
| Cell volume | 3844.2 ± 1.4 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072106.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072106.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072106.cif |
| 44241 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072106, 4072107 via cif-deposit CGI script. |
4072106.cif |
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