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Information card for entry 7702681
Preview
| Coordinates | 7702681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.5 H36 B10 Cl3 I Mo O3 S6 |
|---|---|
| Calculated formula | C17.502 H36 B10 Cl3 I Mo O3.002 S6 |
| Title of publication | Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution† |
| Authors of publication | Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 19 |
| Pages of publication | 2791 |
| a | 10.964 ± 0.002 Å |
| b | 13.556 ± 0.003 Å |
| c | 13.928 ± 0.003 Å |
| α | 105.93 ± 0.03° |
| β | 102.38 ± 0.03° |
| γ | 102.18 ± 0.03° |
| Cell volume | 1862.3 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243944 (current) | 2019-11-28 | cif/ Adding structures of 7702681 via cif-deposit CGI script. |
7702681.cif |
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Users of the data should acknowledge the original authors of the
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