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Information card for entry 4322716
Preview
| Coordinates | 4322716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H72 Cl8 O7 P8 W4 |
|---|---|
| Calculated formula | C30 H72 Cl8 O7 P8 W4 |
| SMILES | C(#[O])[W]12([P](CC[P]1(C)C)(C)C)([W](O[W](=O)(=O)[W]13(C#[O])([P](CC[P]1(C)C)(C)C)[P](CC[P]3(C)C)(C)C)(=O)=O)[P](CC[P]2(C)C)(C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Preparation and Characterization of (iPrO)4WW(η2-dmpe)2(CO), (η1-O2CH)(iPrO)4WW(η2-dmpe)2(H), [H(η2-dmpe)WWO2]2(μ-O), and W2(O)4(μ-O)[W(η2-dmpe)2CO]2 (dmpe = Bisdimethylphosphinomethane), Compounds with W-W Bonds between Metal Atoms in Greatly Differing Oxidation States |
| Authors of publication | Malcolm H. Chisholm; Kirsten Folting; Keith S. Kramer; William E. Streib |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 37 |
| Pages of publication | 1549 - 1554 |
| a | 13.282 ± 0.002 Å |
| b | 14.308 ± 0.003 Å |
| c | 15.319 ± 0.003 Å |
| α | 90° |
| β | 97.88 ± 0.011° |
| γ | 90° |
| Cell volume | 2883.7 ± 0.9 Å3 |
| Cell temperature | 104 K |
| Ambient diffraction temperature | 104 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for all reflections included in the refinement | 0.0266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8656 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179330 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/27. |
4322716.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322716.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322716.cif |
| 21603 | 2011-06-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4322716 via cif-deposit CGI script. |
4322716.cif |
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Users of the data should acknowledge the original authors of the
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