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Information card for entry 1500026
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1500026.cif |
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Original paper (by DOI) | HTML |
Chemical name | Hexaacua cadmium(II) 4,5,6,7-tetrahydro-4-methyl-5,7-dioxo- -1,2,3-triazolo-[4,5-d]-pyrimidinate |
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Formula | C10 H20 Cd N10 O10 |
Calculated formula | C10 H20 Cd N10 O10 |
SMILES | [Cd]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1N(C)c2nn[n-]c2C(=O)N1.O=C1N(C)c2nn[n-]c2C(=O)N1 |
Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2009 |
Journal volume | 362 |
Pages of publication | 1553 - 1558 |
a | 6.811 ± 0.0008 Å |
b | 8.7316 ± 0.001 Å |
c | 8.9234 ± 0.001 Å |
α | 86.413 ± 0.002° |
β | 67.813 ± 0.002° |
γ | 87.315 ± 0.002° |
Cell volume | 490.27 ± 0.1 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 | 0.0256 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/1500026.html
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