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Information card for entry 4000761
Preview
| Coordinates | 4000761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cu2 N9 O6 |
|---|---|
| Calculated formula | C21 H23 Cu2 N9 O6 |
| Title of publication | Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks |
| Authors of publication | Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2908 |
| a | 7.119 ± 0.006 Å |
| b | 21.58 ± 0.02 Å |
| c | 9.1 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1398 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 44 |
| Hermann-Mauguin space group symbol | I m m 2 |
| Hall space group symbol | I 2 -2 |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.