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Information card for entry 4509514
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Coordinates | 4509514.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4'-bipyrazolium dithionate |
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Formula | C6 H8 N4 O6 S2 |
Calculated formula | C6 H8 N4 O6 S2 |
SMILES | c1(c[nH+][nH]c1)c1c[nH][nH+]c1.O=S(=O)([O-])S(=O)(=O)[O-] |
Title of publication | Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts |
Authors of publication | Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 6 |
Pages of publication | 2895 |
a | 7.8851 ± 0.0013 Å |
b | 10.3664 ± 0.0006 Å |
c | 13.0627 ± 0.0013 Å |
α | 90° |
β | 98.266 ± 0.009° |
γ | 90° |
Cell volume | 1056.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71069 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/4509514.html
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