Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7015554
7015553 << 7015554 >> 7015555Preview
|
Coordinates |
7015554.cif |
Structure parameters
| Formula | - C13 H16 B K N8 S - |
| Calculated formula | - C13 H16 B K N8 S - |
| 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 | 16.7702 ± 0.0004 Å |
| b | 11.5282 ± 0.0003 Å |
| c | 18.6564 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3606.85 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c n |
| Hall symmetry space group | -P 2n 2ab |
| Residual factor for all reflections | 0.0522 |
| Residual factor for observed reflections | 0.0418 |
| Weighted residual factors for the observed reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for observed reflections | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |