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Information card for entry 4346049
Preview
| Coordinates | 4346049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zr6O4(OH)4(bpydc)5.16 |
|---|---|
| Formula | C61.92 H37.05 N10.32 O32 Zr6 |
| Calculated formula | C61.92 H37.2 N10.32 O32 Zr6 |
| Title of publication | Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts. |
| Authors of publication | Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2995 - 3005 |
| a | 26.52 ± 0.002 Å |
| b | 26.52 ± 0.002 Å |
| c | 26.52 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18652 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231597 (current) | 2019-11-22 | cif/ Adding structures of 4346049 via cif-deposit CGI script. |
4346049.cif |
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Users of the data should acknowledge the original authors of the
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