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Information card for entry 7236635
Preview
| Coordinates | 7236635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nickel 5-sulphoisophthalate |
|---|---|
| Formula | C16 H19 Na Ni3 O21 S2 |
| Calculated formula | C16 H11 Na Ni3 O20.655 S2 |
| Title of publication | Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate) |
| Authors of publication | Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 45 |
| Pages of publication | 23577 |
| a | 9.859 ± 0.0011 Å |
| b | 11.0355 ± 0.0013 Å |
| c | 12.5671 ± 0.0014 Å |
| α | 104.782 ± 0.002° |
| β | 89.974 ± 0.002° |
| γ | 109.954 ± 0.002° |
| Cell volume | 1237 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 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 | 0.0869 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236373 (current) | 2019-11-24 | cif/ Adding structures of 7236635, 7236636, 7236637, 7236638, 7236639 via cif-deposit CGI script. |
7236635.cif |
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Users of the data should acknowledge the original authors of the
structural data.