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Information card for entry 4070923
Preview
| Coordinates | 4070923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H28 B10 Co N S3 |
|---|---|
| Calculated formula | C17 H28 B10 Co N S3 |
| SMILES | [Co]123456([n]7c(SC[c]82[c]3([c]4([c]5([c]68C)C)C)C)cccc7)S[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%102[BH]%1134[BH]%13%1567)[C]58%12%14S1 |
| Title of publication | Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands |
| Authors of publication | Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 713 |
| a | 8.266 ± 0.003 Å |
| b | 10.433 ± 0.003 Å |
| c | 14.475 ± 0.005 Å |
| α | 99.515 ± 0.005° |
| β | 96.993 ± 0.004° |
| γ | 100.783 ± 0.004° |
| Cell volume | 1194.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070923.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070923.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070923.cif |
| 42845 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070918, 4070919, 4070920, 4070921, 4070922, 4070923 via cif-deposit CGI script. |
4070923.cif |
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Users of the data should acknowledge the original authors of the
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