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Information card for entry 4070977
Preview
| Coordinates | 4070977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H81 Cl4 F6 N4 O6 P Ru2 |
|---|---|
| Calculated formula | C78 H81 Cl4 F6 N4 O6 P Ru2 |
| SMILES | c12ccccc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4ccccc4[O]([Ru]413(=C(C=C(c1ccccc1)c1ccccc1)OCCC)[OH]2)[Ru]123(=C(C=C(c5ccccc5)c5ccccc5)OCCC)Oc5c(cccc5)C=[N]3[C@H]3[C@@H](CCCC3)[N]1=Cc1c(cccc1)[O]24.C(Cl)Cl.C(Cl)Cl.[F-][P](F)(F)(F)(F)F.c12ccccc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4ccccc4[O]([Ru]413(=C(C=C(c1ccccc1)c1ccccc1)OCCC)[OH]2)[Ru]123(=C(C=C(c5ccccc5)c5ccccc5)OCCC)Oc5c(cccc5)C=[N]3[C@@H]3[C@H](CCCC3)[N]1=Cc1c(cccc1)[O]24.C(Cl)Cl.C(Cl)Cl.[F-][P](F)(F)(F)(F)F |
| Title of publication | Proton-Bridged Dinuclear (salen)Ru Carbene Complexes: Synthesis, Structure, and Reactivity of {[(salchda)RuC(OR)(CHCPh2)]2·H}+ |
| Authors of publication | Wong, Chun-Yuen; Man, Wai-Lun; Wang, Chao; Kwong, Hoi-Lun; Wong, Wai-Yeung; Lau, Tai-Chu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 324 |
| a | 11.9566 ± 0.0008 Å |
| b | 28.5888 ± 0.0018 Å |
| c | 22.6159 ± 0.0014 Å |
| α | 90° |
| β | 98.271 ± 0.001° |
| γ | 90° |
| Cell volume | 7650.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070977.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070977.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070977.cif |
| 42938 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070976, 4070977 via cif-deposit CGI script. |
4070977.cif |
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