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Information card for entry 7113063
Preview
| Coordinates | 7113063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H6 N O4 Zn |
|---|---|
| Calculated formula | C9 H6 N O4 Zn |
| Title of publication | Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding. |
| Authors of publication | Fujii, Kotaro; Lazuen Garay, Ana; Hill, Janeen; Sbircea, Elena; Pan, Zhigang; Xu, Mingcan; Apperley, David C.; James, Stuart L.; Harris, Kenneth D. M. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 40 |
| Pages of publication | 7572 - 7574 |
| a | 13.3226 ± 0.0008 Å |
| b | 11.3815 ± 0.0005 Å |
| c | 13.9942 ± 0.0008 Å |
| α | 90° |
| β | 105.746 ± 0.005° |
| γ | 90° |
| Cell volume | 2042.3 ± 0.2 Å3 |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| RFsqd | 0.23574 |
| Goodness-of-fit parameter for all reflections | 1.91 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180244 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30. |
7113063.cif |
| 112230 | 2014-04-30 | cif/ Adding structures of 7113063 via cif-deposit CGI script. |
7113063.cif |
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Users of the data should acknowledge the original authors of the
structural data.