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Information card for entry 4070580
Preview
| Coordinates | 4070580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H39 Cl N5 O4 Pt Re S4 |
|---|---|
| Calculated formula | C38 H39 Cl N5 O4 Pt Re S4 |
| SMILES | [Pt]12([n]3c(c4cc(cc[n]14)C(C)(C)C)cc(C(C)(C)C)cc3)SC1=C(S2)SC(=C2c3cccc[n]3[Re](C#[O])(C#[O])(C#[O])(Cl)[n]3c2cccc3)S1.C(=O)N(C)C |
| 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 | 8.9503 ± 0.0017 Å |
| b | 13.158 ± 0.003 Å |
| c | 17.986 ± 0.003 Å |
| α | 100.325 ± 0.003° |
| β | 94.305 ± 0.003° |
| γ | 98.211 ± 0.004° |
| Cell volume | 2051.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| 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. |
4070580.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070580.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070580.cif |
| 42576 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070580 via cif-deposit CGI script. |
4070580.cif |
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Users of the data should acknowledge the original authors of the
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