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Information card for entry 1520327
Preview
| Coordinates | 1520327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H84 Br Mo6 N3 O18 S |
|---|---|
| Calculated formula | C29 H48 Br Mo6 N2 O18 S |
| Title of publication | A Heteroaromatically Functionalized Hexamolybdate |
| Authors of publication | Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris |
| Journal of publication | Inorganics |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 82 |
| a | 11.03023 ± 0.00016 Å |
| b | 16.9232 ± 0.0002 Å |
| c | 32.4507 ± 0.0005 Å |
| α | 90° |
| β | 98.8238 ± 0.0013° |
| γ | 90° |
| Cell volume | 5985.78 ± 0.15 Å3 |
| Cell temperature | 130.01 ± 0.1 K |
| Ambient diffraction temperature | 130.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2332 |
| Weighted residual factors for all reflections included in the refinement | 0.2471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138322 (current) | 2015-06-05 | cif/ Adding structures of 1520327 via cif-deposit CGI script. |
1520327.cif |
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Users of the data should acknowledge the original authors of the
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