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Information card for entry 4072468
Preview
| Coordinates | 4072468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H79 Cl2 F6 P5 Ru2 |
|---|---|
| Calculated formula | C70 H79 Cl2 F6 P5 Ru2 |
| SMILES | [Ru]1234([P](CC)(CC)CC)([P](CC)(CC)CC)(=C=C(CC#C[Ru]5678([P](c9ccccc9)(c9ccccc9)c9ccccc9)([P](c9ccccc9)(c9ccccc9)c9ccccc9)[cH]9[cH]5[cH]6[cH]7[cH]89)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15.[P](F)(F)(F)(F)(F)[F-].ClCCl |
| Title of publication | Preparation of Dinuclear Vinylidene Complexes and Their New Deprotonation Reactions |
| Authors of publication | Liu, Chung-Wei; Lin, Ying-Chih; Huang, Shou-Ling; Cheng,; Liu, Yi-Hung; Wang, Yu |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 3431 |
| a | 15.3762 ± 0.0002 Å |
| b | 13.8246 ± 0.0002 Å |
| c | 32.2115 ± 0.0005 Å |
| α | 90° |
| β | 95.036 ± 0.0004° |
| γ | 90° |
| Cell volume | 6820.76 ± 0.17 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1679 |
| Weighted residual factors for all reflections included in the refinement | 0.1879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178613 (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 4/07/24. |
4072468.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072468.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072468.cif |
| 45835 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072468 via cif-deposit CGI script. |
4072468.cif |
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Users of the data should acknowledge the original authors of the
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