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Information card for entry 4076109
Preview
| Coordinates | 4076109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H25 B10 O6 Rh Se2 W |
|---|---|
| Calculated formula | C18 H25 B10 O6 Rh Se2 W |
| SMILES | [Rh]12345([Se][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%13[Se]1[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#[O] |
| Title of publication | Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se) |
| Authors of publication | Cai, Shuyi; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 22 |
| Pages of publication | 5280 |
| a | 11.273 ± 0.003 Å |
| b | 14.837 ± 0.004 Å |
| c | 19.172 ± 0.006 Å |
| α | 68.45 ± 0.005° |
| β | 80.684 ± 0.005° |
| γ | 89.393 ± 0.005° |
| Cell volume | 2939 ± 1.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1312 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.755 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178650 (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 4/07/61. |
4076109.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076109.cif |
| 88562 | 2013-09-27 | smi/4 Adding SMILES for boron-containing compounds. |
4076109.cif |
| 50848 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4076109 via cif-deposit CGI script. |
4076109.cif |
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Users of the data should acknowledge the original authors of the
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