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Information card for entry 4076108
Preview
| Coordinates | 4076108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H37 B20 Cl2 O2 Rh S4 W |
|---|---|
| Calculated formula | C17 H37 B20 Cl2 O2 Rh S4 W |
| SMILES | [W]123([Rh]45678([S]1[C]19%10%11[C]%12%13%14([S]24)[BH]241[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%159[BH]941[BH]1%132[BH]%14%10%11[BH]%12%1691)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)(S[C]1245[C]678(S3)[BH]391[BH]1%102[BH]2%114[BH]456[BH]56%11[BH]%11%102[BH]291[BH]173[BH]845[BH]6%1121)(C#[O])C#[O].C(Cl)Cl |
| 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 | 12.287 ± 0.006 Å |
| b | 13.278 ± 0.006 Å |
| c | 13.865 ± 0.006 Å |
| α | 73.666 ± 0.007° |
| β | 65.349 ± 0.007° |
| γ | 73.831 ± 0.007° |
| Cell volume | 1938.9 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| 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. |
4076108.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076108.cif |
| 50847 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4076108 via cif-deposit CGI script. |
4076108.cif |
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Users of the data should acknowledge the original authors of the
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