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Information card for entry 7702636
Preview
| Coordinates | 7702636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H48 Br3 F6 P7 Se4 W3 |
|---|---|
| Calculated formula | C18 H48 Br3 F6.03 P7.005 Se4 W3 |
| Title of publication | Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives† |
| Authors of publication | Llusar, Rosa; Uriel, Santiago; Vicent, Cristian |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 19 |
| Pages of publication | 2813 |
| a | 21.0599 ± 0.0005 Å |
| b | 21.0599 ± 0.0005 Å |
| c | 21.0599 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9340.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 197 |
| Hermann-Mauguin space group symbol | I 2 3 |
| Hall space group symbol | I 2 2 3 |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243931 (current) | 2019-11-28 | cif/ Adding structures of 7702635, 7702636, 7702637, 7702638 via cif-deposit CGI script. |
7702636.cif |
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Users of the data should acknowledge the original authors of the
structural data.