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Information card for entry 4070578
Preview
| Coordinates | 4070578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H42 Au2 Cl5 N2 O3 P2 Re S4 |
|---|---|
| Calculated formula | C55 H42 Au2 Cl5 N2 O3 P2 Re S4 |
| SMILES | [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]1[Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC2=C1SC(S2)=C1c2cccc[n]2[Re](C#[O])(C#[O])(C#[O])([n]2ccccc12)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units |
| Authors of publication | Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 126 |
| a | 12.413 ± 0.002 Å |
| b | 15.205 ± 0.003 Å |
| c | 17.43 ± 0.003 Å |
| α | 103.993 ± 0.004° |
| β | 104.478 ± 0.004° |
| γ | 99.802 ± 0.004° |
| Cell volume | 2996.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (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 4/07/05. |
4070578.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070578.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070578.cif |
| 42574 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070578 via cif-deposit CGI script. |
4070578.cif |
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