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Information card for entry 4340541
Preview
| Coordinates | 4340541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tris(η^4^-o-phenylenedimethylene)tungsten(VI) |
|---|---|
| Formula | C24 H24 W |
| Calculated formula | C24 H24 W |
| SMILES | [W]123456789([CH2]=[C]%101[C]2(C=CC=C%10)=[CH2]3)([CH2]=[C]14C=CC=C[C]51=[CH2]6)[CH2]=[C]17C=CC=C[C]81=[CH2]9 |
| Title of publication | X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge. |
| Authors of publication | Jayarathne, Upul; Chandrasekaran, Perumalreddy; Greene, Angelique F.; Mague, Joel T.; DeBeer, Serena; Lancaster, Kyle M.; Sproules, Stephen; Donahue, James P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8230 - 8241 |
| a | 6.8375 ± 0.0004 Å |
| b | 11.1829 ± 0.0006 Å |
| c | 11.8409 ± 0.0006 Å |
| α | 105.1 ± 0.001° |
| β | 92.924 ± 0.001° |
| γ | 90.392 ± 0.001° |
| Cell volume | 872.8 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0159 |
| Residual factor for significantly intense reflections | 0.0147 |
| Weighted residual factors for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections included in the refinement | 0.0337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179508 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05. |
4340541.cif |
| 122898 | 2014-09-06 | cif/ Updating files of 4340540, 4340541 Original log message: Adding full bibliography for 4340540--4340541.cif. |
4340541.cif |
| 120881 | 2014-07-30 | cif/ Adding structures of 4340540, 4340541 via cif-deposit CGI script. |
4340541.cif |
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