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Information card for entry 4075645
Preview
| Coordinates | 4075645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hydridotungstenocene diphenylstannyl chloride |
|---|---|
| Formula | C22 H21 Cl Sn W |
| Calculated formula | C22 H21 Cl Sn W |
| SMILES | [WH]12345678([Sn](Cl)(c9ccccc9)c9ccccc9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | 1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes |
| Authors of publication | Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 16 |
| Pages of publication | 3897 |
| a | 9.952 ± 0.002 Å |
| b | 13.417 ± 0.003 Å |
| c | 15.161 ± 0.003 Å |
| α | 90° |
| β | 104.23 ± 0.03° |
| γ | 90° |
| Cell volume | 1962.3 ± 0.8 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for all reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0 |
| Goodness-of-fit parameter for all reflections | 1.022 |
| Goodness-of-fit parameter for significantly intense reflections | 1.022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178645 (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 4/07/56. |
4075645.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075645.cif |
| 50599 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075644, 4075645, 4075646, 4075647, 4075648 via cif-deposit CGI script. |
4075645.cif |
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