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Information card for entry 2017238
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Coordinates | 2017238.cif |
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Structure factors | 2017238.hkl |
Original IUCr paper | HTML |
Common name | [3,5-DBr-2,6-DAPyH]2.CdBr4 |
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Chemical name | bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidocadmate(II) |
Formula | C10 H12 Br8 Cd N6 |
Calculated formula | C10 H12 Br8 Cd N6 |
SMILES | Br[Cd](Br)([Br-])[Br-].c1([nH+]c(N)c(cc1Br)Br)N.[nH+]1c(N)c(Br)cc(Br)c1N |
Title of publication | Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^ |
Authors of publication | Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 8 |
Pages of publication | m321 - m324 |
a | 8.8759 ± 0.0018 Å |
b | 10.72 ± 0.002 Å |
c | 14.137 ± 0.003 Å |
α | 73.07 ± 0.03° |
β | 86.87 ± 0.03° |
γ | 65.61 ± 0.03° |
Cell volume | 1168.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0761 |
Weighted residual factors for all reflections included in the refinement | 0.0817 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017238.html
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Users of the data should acknowledge the original authors of the
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