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Information card for entry 7125689
Preview
| Coordinates | 7125689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 N2 Ni O12 Se2 |
|---|---|
| Calculated formula | C12 H16 N2 Ni O12 Se2 |
| Title of publication | In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF. |
| Authors of publication | He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 1286 - 1289 |
| a | 6.7387 ± 0.0008 Å |
| b | 7.6141 ± 0.0011 Å |
| c | 9.7024 ± 0.0011 Å |
| α | 104.872 ± 0.012° |
| β | 91.645 ± 0.01° |
| γ | 109.701 ± 0.012° |
| Cell volume | 449.33 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1052 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247581 (current) | 2020-02-04 | cif/ Updating files of 7125687, 7125688, 7125689 Original log message: Adding full bibliography for 7125687--7125689.cif. |
7125689.cif |
| 245547 | 2019-12-24 | cif/ Adding structures of 7125687, 7125688, 7125689 via cif-deposit CGI script. |
7125689.cif |
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Users of the data should acknowledge the original authors of the
structural data.