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CIF Information Card
Information card for 7015553
7015552 << 7015553 >> 7015554Preview
|
Coordinates |
7015553.cif |
Structure parameters
| Formula | - C11.5 H16 B K N6 O0.5 S2 - |
| Calculated formula | - C11.5 H16 B K N6 O0.5 S2 - |
| Title of publication | Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. |
| Authors of publication | López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4647 - 4659 |
| a | 10.8712 ± 0.0002 Å |
| b | 12.5318 ± 0.0003 Å |
| c | 13.7319 ± 0.0003 Å |
| α | 113.484 ± 0.001° |
| β | 100.682 ± 0.001° |
| γ | 94.266 ± 0.001° |
| Cell volume | 1663.12 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for observed reflections | 0.0432 |
| Weighted residual factors for the observed reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for observed reflections | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |