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Information card for entry 4000677
Preview
| Coordinates | 4000677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N12 O19.9 Zn5 |
|---|---|
| Calculated formula | C32 H20 N12 O19.896 Zn5 |
| Title of publication | Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks |
| Authors of publication | Hyunsoo Park; David M. Moureau; John B. Parise |
| Journal of publication | Chem. Mater. |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 525 - 531 |
| a | 10.192 ± 0.002 Å |
| b | 17.764 ± 0.004 Å |
| c | 24.437 ± 0.005 Å |
| α | 90° |
| β | 91.19 ± 0.03° |
| γ | 90° |
| Cell volume | 4423.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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