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Information card for entry 4076105
Preview
| Coordinates | 4076105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H50 B20 O2 Rh2 S4 W |
|---|---|
| Calculated formula | C26 H50 B20 O2 Rh2 S4 W |
| SMILES | [Rh]1234567([W]89%10%11([Rh]%12%13%14%15%16([S]9[C]9%17%18%19[C]%20%21%22([S]%10%12)[BH]%10%129[BH]9%23%20[BH]%20%24%21[BH]%21%17%22[BH]%17%22%18[BH]%18%19%10[BH]%10%129[BH]9%23%20[BH]%24%21%17[BH]%22%18%109)(C%11=O)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)([S]1[C]19%10%11[C]%12%13%14([S]28)[BH]281[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%129[BH]9%13%10[BH]%10%142[BH]281[BH]%15%16%11[BH]%129%102)C3=O)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C |
| 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 | 14.086 ± 0.007 Å |
| b | 21.333 ± 0.01 Å |
| c | 15.408 ± 0.008 Å |
| α | 90° |
| β | 109.958 ± 0.007° |
| γ | 90° |
| Cell volume | 4352 ± 4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1182 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4076105.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076105.cif |
| 50844 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4076105 via cif-deposit CGI script. |
4076105.cif |
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Users of the data should acknowledge the original authors of the
structural data.