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Information card for entry 4114171
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Coordinates | 4114171.cif |
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Original paper (by DOI) | HTML |
Chemical name | Tetrabutylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1 Aceton solvate |
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Formula | C20 H42 Br5 N O |
Calculated formula | C20 H42 Br5 N O |
Title of publication | The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons |
Authors of publication | Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 11597 - 11606 |
a | 8.2859 ± 0.0001 Å |
b | 22.4833 ± 0.0004 Å |
c | 8.3652 ± 0.0001 Å |
α | 90° |
β | 114.661 ± 0.001° |
γ | 90° |
Cell volume | 1416.25 ± 0.04 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0575 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for all reflections | 0.1038 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Goodness-of-fit parameter for all reflections | 1.113 |
Goodness-of-fit parameter for significantly intense reflections | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4114171.html
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