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Information card for entry 4106568
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| Coordinates | 4106568.cif |
|---|---|
| Structure factors | 4106568.hkl |
| Original paper (by DOI) | HTML |
| Formula | C96 I5.04 N48 Zn12 |
|---|---|
| Calculated formula | C96 I5.04 N48 Zn12 |
| Title of publication | Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8 |
| Authors of publication | Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 12398 - 12401 |
| a | 17.0293 ± 0.0003 Å |
| b | 17.0293 Å |
| c | 17.0293 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4938.45 ± 0.09 Å3 |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| RFsqd | 0.12955 |
| Goodness-of-fit parameter for all reflections | 2.14 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.413914 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181928 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/10. |
4106568.cif 4106568.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4106568.cif 4106568.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4106568.cif 4106568.hkl |
| 178811 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65. |
4106568.cif 4106568.hkl |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106568.cif 4106568.hkl |
| 53601 | 2012-04-20 | hkl/4 Moving Fobs files to their correct places |
4106568.cif 4106568.hkl |
| 53370 | 2012-04-19 | cif/ hkl/ Adding structures of 4106568 via cif-deposit CGI script. |
4106568.cif |
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Users of the data should acknowledge the original authors of the
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