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Information card for entry 8000045
Preview
| Coordinates | 8000045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 Cu N4 O6 |
|---|---|
| Calculated formula | C5 H8 Cu N4 O8 |
| SMILES | [Cu]1(ON(=O)=O)([n]2cnc(N)cc2)[O](C)[Cu]([O]1C)(ON(=O)=O)[n]1cnc(N)cc1.O.O.O.O.O.O.O.O |
| Title of publication | Structure and Magnetic Properties of a Honeycomb-like Copper(II) Complex Containing 4-Aminopyrimidine and Methoxide Bridges |
| Authors of publication | Keita Osanai; Takayuki Ishida; Takashi Nogami |
| Journal of publication | Chemistry Letters |
| Year of publication | 2005 |
| Journal volume | 34 |
| Journal issue | 4 |
| Pages of publication | 620 |
| a | 24.463 ± 0.006 Å |
| b | 24.463 ± 0.006 Å |
| c | 10.063 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5215 ± 2 Å3 |
| Cell temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.96 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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