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Information card for entry 7007885
Preview
Coordinates | 7007885.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H12 B10 I4 |
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Calculated formula | C8 H12 B10 I4 |
SMILES | I[B]1234[BH]567[C]89%10([CH]%11%125[BH]5%13%10[BH]%10%149[BH]168[B]13%10(I)[B]35%14(I)[BH]5%12%13[BH]27%11[B]4135I)c1ccccc1 |
Title of publication | A solvent-free regioselective iodination route of ortho-carboranes. |
Authors of publication | Vaca, Albert; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 41 |
Pages of publication | 4884 - 4885 |
a | 10.0569 ± 0.0004 Å |
b | 15.2555 ± 0.0005 Å |
c | 13.0206 ± 0.0005 Å |
α | 90° |
β | 99.686 ± 0.002° |
γ | 90° |
Cell volume | 1969.18 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.052 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7007885.html
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