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Information card for entry 4110489
Preview
Coordinates | 4110489.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C H2 B11 Cl11 |
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Calculated formula | C H2 B11 Cl11 |
SMILES | [CH]1234[B]567([B]891([B]1%102([B]2%113([B]345([B]456([B]678([B]791([B]1%102([B]%1134([B]5671Cl)Cl)Cl)[ClH])Cl)Cl)Cl)Cl)Cl)Cl)Cl |
Title of publication | The Structure of the Strongest Brønsted Acid: The Carborane Acid H(CHB11Cl11) |
Authors of publication | Evgenii S. Stoyanov; Stephan P. Hoffmann; Mark Juhasz; Christopher A. Reed |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 3160 - 3161 |
a | 8.9136 ± 0.0011 Å |
b | 14.4549 ± 0.0017 Å |
c | 14.9526 ± 0.0017 Å |
α | 73.416 ± 0.003° |
β | 75.619 ± 0.003° |
γ | 84.322 ± 0.003° |
Cell volume | 1787.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.121 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4110489.html
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