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Information card for entry 4071341
Preview
| Coordinates | 4071341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex 8a |
|---|---|
| Formula | C56 H76 Cl4 O4 P2 Ru |
| Calculated formula | C56 H74 Cl4 O4 P2 Ru |
| SMILES | [P]1(=C2C(=C(C2=[P](c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)[Ru]1(Cl)(Cl)(C#[O])[OH2])c1ccc(cc1)OC)c1ccc(cc1)OC)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl |
| Title of publication | Synthesis and Reactions of Diphosphinidenecyclobutene Ruthenium Complexes Relevant to Catalytic Hydrosilylation of Terminal Alkynes |
| Authors of publication | Hayashi, Akito; Yoshitomi, Takahiko; Umeda, Kazutoshi; Okazaki, Masaaki; Ozawa, Fumiyuki |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 10 |
| Pages of publication | 2321 |
| a | 14.556 ± 0.015 Å |
| b | 14.86 ± 0.02 Å |
| c | 15.45 ± 0.02 Å |
| α | 81.08 ± 0.11° |
| β | 64.64 ± 0.09° |
| γ | 71.75 ± 0.1° |
| Cell volume | 2867 ± 7 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 | 0.1178 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.2292 |
| Weighted residual factors for all reflections included in the refinement | 0.3074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (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 4/07/13. |
4071341.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071341.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071341.cif |
| 43160 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071341 via cif-deposit CGI script. |
4071341.cif |
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