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Information card for entry 4108390
Preview
| Coordinates | 4108390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H180 O6 P2 Si6 W2 |
|---|---|
| Calculated formula | C78 H180 O6 P2 Si6 W2 |
| Title of publication | Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox =tBu3SiO) |
| Authors of publication | David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 12931 - 12943 |
| a | 12.9564 ± 0.0011 Å |
| b | 20.469 ± 0.0017 Å |
| c | 21.6634 ± 0.0017 Å |
| α | 63.76 ± 0.004° |
| β | 80.022 ± 0.004° |
| γ | 76.894 ± 0.004° |
| Cell volume | 5001.4 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4108390.cif |
| 178829 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/83. |
4108390.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108390.cif |
| 56744 | 2012-05-15 | cif/ Adding structures of 4108390 via cif-deposit CGI script. |
4108390.cif |
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Users of the data should acknowledge the original authors of the
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