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Information card for entry 2006639
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Coordinates | 2006639.cif |
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Original IUCr paper | HTML |
Formula | C12 H16 Cu N6 O6 |
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Calculated formula | C12 H16 Cu N6 O6 |
SMILES | c12cccc[n]2[Cu]2(ON(=O)=O)(ON(=O)=O)([NH2]C1)[n]1c(cccc1)C[NH2]2 |
Title of publication | Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II) |
Authors of publication | Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 11 |
Pages of publication | 1596 - 1598 |
a | 8.5236 ± 0.0008 Å |
b | 8.9284 ± 0.0007 Å |
c | 9.9279 ± 0.0008 Å |
α | 90° |
β | 98.955 ± 0.007° |
γ | 90° |
Cell volume | 746.32 ± 0.11 Å3 |
Cell temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for all reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.078 |
Goodness-of-fit parameter for all reflections | 1.032 |
Goodness-of-fit parameter for significantly intense reflections | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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