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Information card for entry 7011317
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Coordinates | 7011317.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(hydroorotate)disilver(I)dihydrate |
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Formula | C10 H9 Ag2 N4 O10 |
Calculated formula | C10 H9 Ag2 N4 O10 |
Title of publication | Hydrogen-bonded neutral and anionic lamellar networks: Crystal structures of bis(O,O',O″-hydroorotato)disilver(I) dihydrate, potassium hydroorotate and rubidium hydroorotate. Ab initio calculations on orotic acid and the hydroorotate anion |
Authors of publication | Somer Bekiroglu; Olof Kristiansson |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1330 - 1335 |
a | 5.1295 ± 0.0005 Å |
b | 5.9118 ± 0.0006 Å |
c | 12.1815 ± 0.0012 Å |
α | 92.071 ± 0.002° |
β | 96.54 ± 0.002° |
γ | 106.322 ± 0.002° |
Cell volume | 351.3 ± 0.06 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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