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Information card for entry 4070576
Preview
| Coordinates | 4070576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H18 Br Cl6 N4 O3 Re S4 |
|---|---|
| Calculated formula | C25 H18 Br Cl6 N4 O3 Re S4 |
| SMILES | [Re]1(Br)([n]2ccccc2C(=C2SC(=C(S2)SCCC#N)SCCC#N)c2[n]1cccc2)(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl.C(Cl)(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 | 17.761 ± 0.008 Å |
| b | 10.191 ± 0.004 Å |
| c | 22.264 ± 0.007 Å |
| α | 90° |
| β | 116.61 ± 0.03° |
| γ | 90° |
| Cell volume | 3603 ± 3 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 | 0.1567 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.1843 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
4070576.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070576.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070576.cif |
| 42572 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070576 via cif-deposit CGI script. |
4070576.cif |
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Users of the data should acknowledge the original authors of the
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