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CIF Information Card
Information card for 7015647
7015646 << 7015647 >> 7015648Preview
|
Coordinates |
7015647.cif |
Structure parameters
| Formula | - C14 H15 B10 F5 - |
| Calculated formula | - C14 H15 B10 F5 - |
| Title of publication | Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups. |
| Authors of publication | Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 16 |
| Pages of publication | 4200 - 4211 |
| a | 7.9262 ± 0.001 Å |
| b | 16.625 ± 0.002 Å |
| c | 13.5738 ± 0.0017 Å |
| α | 90° |
| β | 97.88 ± 0.002° |
| γ | 90° |
| Cell volume | 1771.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1143 |
| Residual factor for observed reflections | 0.0593 |
| Weighted residual factors for the observed reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for observed reflections | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |