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Information card for entry 7112291
Preview
| Coordinates | 7112291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H46 Cu3 N6 O13 P4 |
|---|---|
| Calculated formula | C34 H44 Cu3 N6 O13 P4 |
| Title of publication | Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks. |
| Authors of publication | Taddei, Marco; Costantino, Ferdinando; Ienco, Andrea; Comotti, Angiolina; Dau, Phuong V.; Cohen, Seth M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 13 |
| Pages of publication | 1315 - 1317 |
| a | 23.288 ± 0.002 Å |
| b | 9.57 ± 0.0007 Å |
| c | 24.207 ± 0.002 Å |
| α | 90° |
| β | 105.705 ± 0.009° |
| γ | 90° |
| Cell volume | 5193.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1316 |
| Residual factor for significantly intense reflections | 0.1024 |
| Weighted residual factors for significantly intense reflections | 0.273 |
| Weighted residual factors for all reflections included in the refinement | 0.2991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7108834 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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