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Information card for entry 4501119
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Coordinates | 4501119.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4-diazabicyclo[2.2.2]octane dihydrobromide, dabco dihydrobromide, dabco2HBr |
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Chemical name | 1,4-diazabicyclo[2.2.2]octane dihydrobromide |
Formula | C6 H14 Br2 N2 |
Calculated formula | C6 H14 Br2 N2 |
Title of publication | Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate |
Authors of publication | Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 11 |
Pages of publication | 4892 |
a | 7.0917 ± 0.0013 Å |
b | 12.28 ± 0.003 Å |
c | 11.4693 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 998.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Cell measurement pressure | 1013.25 kPa |
Number of distinct elements | 4 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.186 |
Residual factor for significantly intense reflections | 0.1259 |
Weighted residual factors for significantly intense reflections | 0.3407 |
Weighted residual factors for all reflections included in the refinement | 0.3557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
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/4501119.html
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