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Information card for entry 4070768
Preview
| Coordinates | 4070768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H46 Cl6 N3 Rh3 S3 |
|---|---|
| Calculated formula | C34 H46 Cl6 N3 Rh3 S3 |
| SMILES | [Rh]12345(Sc6[n]1c1S[Rh]789%10([n]1c1S[Rh]%11%12%13%14([n]61)(Cl)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)(Cl)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.C(Cl)(Cl)Cl |
| 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 | 13.24 ± 0.005 Å |
| b | 24.318 ± 0.006 Å |
| c | 13.666 ± 0.003 Å |
| α | 90° |
| β | 106.61 ± 0.02° |
| γ | 90° |
| Cell volume | 4216 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0602 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
4070768.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070768.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070768.cif |
| 42683 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070768 via cif-deposit CGI script. |
4070768.cif |
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