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Information card for entry 7125291
Preview
| Coordinates | 7125291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 Cu4 I4 N4 O16 Zr3 |
|---|---|
| Calculated formula | C24 H24 Cu4 I4 N4 O16 Zr3 |
| Title of publication | Rational design of a flu-type heterometallic cluster-based Zr-MOF. |
| Authors of publication | Tan, Yan-Xi; Yang, Xue; Li, Bei-Bei; Yuan, Daqiang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 94 |
| Pages of publication | 13671 - 13674 |
| a | 17.5411 ± 0.0005 Å |
| b | 17.5411 ± 0.0005 Å |
| c | 34.6975 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10676.1 ± 0.6 Å3 |
| Cell temperature | 240 ± 0.1 K |
| Ambient diffraction temperature | 240 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234673 (current) | 2019-11-23 | cif/ Adding structures of 7125291 via cif-deposit CGI script. |
7125291.cif |
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Users of the data should acknowledge the original authors of the
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