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Information card for entry 4323142
Preview
Coordinates | 4323142.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 8,9,10,12-tetrafluro-o-carborane |
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Formula | C2 H8 B10 F4 |
Calculated formula | C2 H8 B10 F4 |
SMILES | [BH]1234[BH]567[BH]89%10[B]%11%126([B]615(F)[BH]153[BH]3%13%14[BH]%159([CH]278[CH]45%14%15)[B]%10%113([B]%1261%13F)F)F |
Title of publication | Topological Analysis of the Electron Density Distribution in the Crystal of 8,9,10,12-Tetrafluoro-o-carborane on the Basis of the High-Resolution X-ray Diffraction Data at 120 K |
Authors of publication | Konstantin A. Lyssenko; Mikhail Yu. Antipin; Viatcheslav N. Lebedev |
Journal of publication | Inorganic Chemistry |
Year of publication | 1998 |
Journal volume | 37 |
Pages of publication | 5834 - 5843 |
a | 6.808 ± 0.001 Å |
b | 11.777 ± 0.002 Å |
c | 11.856 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 950.6 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for all reflections | 0.0953 |
Weighted residual factors for significantly intense reflections | 0.0719 |
Goodness-of-fit parameter for all reflections | 1.061 |
Goodness-of-fit parameter for significantly intense reflections | 1.131 |
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/4323142.html
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