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Information card for entry 7029343
Preview
| Coordinates | 7029343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H50 B20 Cl4 P Rh S3 |
|---|---|
| Calculated formula | C26 H46 B20 P Rh S3 |
| SMILES | [Rh]12345(S[C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%15[BH]%15%146[BH]6%11%13[BH]%11%13%10[BH]78([BH]%17%156%11)[C]9%12%16%13P(=[S]1)(c1ccccc1)c1ccccc1)(S[C]1678[BH]9%10%11[BH]%12%131[BH]1%146[BH]6%157[BH]7%161[BH]1%176[BH]69([BH]9%10%12[BH]%13%147[BH]%16169)[CH]8%11%15%17)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
| Title of publication | Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center. |
| Authors of publication | Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 13 |
| Pages of publication | 4938 - 4940 |
| a | 14.916 ± 0.009 Å |
| b | 11.926 ± 0.007 Å |
| c | 27.143 ± 0.015 Å |
| α | 90° |
| β | 101.332 ± 0.009° |
| γ | 90° |
| Cell volume | 4734 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179999 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93. |
7029343.cif |
| 107125 | 2014-03-17 | cif/ Adding structures of 7029340, 7029341, 7029342, 7029343 via cif-deposit CGI script. |
7029343.cif |
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Users of the data should acknowledge the original authors of the
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