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Information card for entry 4086000
Preview
| Coordinates | 4086000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H39 B Cl4 O P2 Ru |
|---|---|
| Calculated formula | C43 H39 B Cl4 O P2 Ru |
| SMILES | [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[CH]6=[CH]2[B]5([CH]1=[CH]4C36)OC.ClC(Cl)Cl |
| Title of publication | Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me) |
| Authors of publication | Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3292 |
| a | 10.1289 ± 0.0003 Å |
| b | 11.2291 ± 0.0004 Å |
| c | 18.5072 ± 0.0005 Å |
| α | 88.755 ± 0.003° |
| β | 76.281 ± 0.003° |
| γ | 72.501 ± 0.003° |
| Cell volume | 1947.5 ± 0.11 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086000.cif |
| 154721 | 2015-09-06 | cif/ Updating files of 4085999, 4086000, 4086001, 4086002, 4086003, 4086004 Original log message: Adding full bibliography for 4085999--4086004.cif. |
4086000.cif |
| 139813 | 2015-07-01 | cif/ Adding structures of 4085999, 4086000, 4086001, 4086002, 4086003, 4086004 via cif-deposit CGI script. |
4086000.cif |
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Users of the data should acknowledge the original authors of the
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