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CIF Information Card
Information card for 7015648
7015647 << 7015648 >> 7015649Preview
|
Coordinates |
7015648.cif |
Structure parameters
| Formula | - C15 H19 B10 F3 - |
| Calculated formula | - C15 H19 B10 F3 - |
| 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 | 10.1887 ± 0.0011 Å |
| b | 12.3835 ± 0.0012 Å |
| c | 15.351 ± 0.0017 Å |
| α | 90° |
| β | 103.201 ± 0.004° |
| γ | 90° |
| Cell volume | 1885.7 ± 0.3 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/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0772 |
| Residual factor for observed reflections | 0.0378 |
| Weighted residual factors for the observed reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for observed reflections | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |