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Information card for entry 4070769
Preview
| Coordinates | 4070769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 Cl2 Ir N S |
|---|---|
| Calculated formula | C15 H20 Cl2 Ir N S |
| SMILES | [Ir]1234([S]=c5[nH]cccc5)(Cl)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
| Title of publication | Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione) |
| Authors of publication | Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 961 |
| a | 9.11 ± 0.04 Å |
| b | 16 ± 0.07 Å |
| c | 23.7 ± 0.1 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3455 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (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 4/07/07. |
4070769.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070769.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070769.cif |
| 42684 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070769 via cif-deposit CGI script. |
4070769.cif |
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Users of the data should acknowledge the original authors of the
structural data.