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Information card for entry 4121462
Preview
| Coordinates | 4121462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H2.04 D1.01 O5.78 Zr |
|---|---|
| Calculated formula | C4 H2.03667 D1.013 O5.77633 Zr |
| Title of publication | Water adsorption in porous metal-organic frameworks and related materials. |
| Authors of publication | Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 11 |
| Pages of publication | 4369 - 4381 |
| a | 17.8736 ± 0.0005 Å |
| b | 17.8736 Å |
| c | 17.8736 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5710 ± 0.16 Å3 |
| Number of distinct elements | 5 |
| Space group number | 201 |
| Hermann-Mauguin space group symbol | P n -3 :2 |
| Hall space group symbol | -P 2ab 2bc 3 |
| RFsqd | 0.05931 |
| Goodness-of-fit parameter for all reflections | 1.01 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 2.078 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179016 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14. |
4121462.cif |
| 107795 | 2014-03-22 | cif/ Adding structures of 4121462 via cif-deposit CGI script. |
4121462.cif |
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