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Information card for entry 7236638
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| Coordinates | 7236638.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Partially Dehydrated Nickel 5-sulphoisophthalate |
|---|---|
| Formula | C16 H11 Na Ni3 O17 S2 |
| Calculated formula | C16 H9 Na Ni3 O17 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 | 9.8415 ± 0.0013 Å |
| b | 11.0066 ± 0.0015 Å |
| c | 12.6355 ± 0.0017 Å |
| α | 104.131 ± 0.003° |
| β | 92.127 ± 0.003° |
| γ | 110.798 ± 0.003° |
| Cell volume | 1229.2 ± 0.3 Å3 |
| Cell temperature | 400 ± 2 K |
| Ambient diffraction temperature | 400 ± 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 | 0.0835 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7236638.cif |
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Users of the data should acknowledge the original authors of the
structural data.