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Information card for entry 1507797
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| Coordinates | 1507797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mof325 |
|---|---|
| Chemical name | Cu3[(Cu3O)(PyC)3(NO3)]2.(DEF)18(NMP)3(H2O)8 |
| Formula | C24 H12 Cu9 N12 O23 |
| Calculated formula | C24 H12 Cu9 N12 O23 |
| Title of publication | Hydrogen Storage in New Metal‒Organic Frameworks |
| Authors of publication | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2012 |
| Journal volume | 116 |
| Journal issue | 24 |
| Pages of publication | 13143 |
| a | 42.606 ± 0.003 Å |
| b | 42.606 ± 0.003 Å |
| c | 42.606 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 77341 ± 9 Å3 |
| Cell temperature | 258 ± 2 K |
| Ambient diffraction temperature | 258 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.2157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.67 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507797.cif |
| 113438 | 2014-05-12 | cif/ Updating files of 1507796, 1507797, 1507798, 1507799, 1507800 Original log message: Adding full bibliography for 1507796--1507800.cif. |
1507797.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507797.cif |
| 62282 | 2012-07-07 | cif/ Adding structures of 1507796, 1507797, 1507798, 1507799, 1507800 via cif-deposit CGI script. |
1507797.cif |
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Users of the data should acknowledge the original authors of the
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