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CIF Information Card
Information card for 7015650
7015649 << 7015650 >> 7015651Preview
|
Coordinates |
7015650.cif |
Structure parameters
| Formula | - C15 H18 B10 F4 - |
| Calculated formula | - C15 H18 B10 F4 - |
| 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 | 20.395 ± 0.004 Å |
| b | 10.841 ± 0.002 Å |
| c | 18.92 ± 0.004 Å |
| α | 90° |
| β | 116.36 ± 0.03° |
| γ | 90° |
| Cell volume | 3748.3 ± 1.6 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 | 0.0744 |
| Residual factor for observed reflections | 0.0475 |
| Weighted residual factors for the observed reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for observed reflections | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |