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CIF Information Card
Information card for 7015556
7015555 << 7015556 >> 7015557Preview
|
Coordinates |
7015556.cif |
Structure parameters
| Formula | - C16 H20 B Cl2 Ir N6 O2 S2 - |
| Calculated formula | - C16 H20 B Cl2 Ir N6 O2 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 | 8.8351 ± 0.0002 Å |
| b | 10.3766 ± 0.0002 Å |
| c | 13.2958 ± 0.0004 Å |
| α | 73.239 ± 0.001° |
| β | 84.423 ± 0.001° |
| γ | 85.728 ± 0.001° |
| Cell volume | 1160.24 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for observed reflections | 0.0388 |
| Weighted residual factors for the observed reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for observed reflections | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |