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Information card for entry 4350525
Preview
| Coordinates | 4350525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H38 Er2 N5 O21.5 |
|---|---|
| Calculated formula | C27 H21 Er2 N5 O14 |
| Title of publication | Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials. |
| Authors of publication | Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 22 |
| Pages of publication | 8838 - 8840 |
| a | 8.438 ± 0.003 Å |
| b | 27.795 ± 0.01 Å |
| c | 15.934 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3737 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239920 (current) | 2019-11-25 | cif/ Adding structures of 4350525 via cif-deposit CGI script. |
4350525.cif |
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