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Information card for entry 4001679
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| Coordinates | 4001679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H48 Co18 O160 |
|---|---|
| Calculated formula | C144 H48 Co18 O160.2 |
| Title of publication | New Porous Crystals of Extended Metal-Catecholates |
| Authors of publication | Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 18 |
| Pages of publication | 3511 |
| a | 22.13 ± 0.003 Å |
| b | 22.13 ± 0.003 Å |
| c | 13.31 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5645.1 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0844 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.2048 |
| Weighted residual factors for all reflections included in the refinement | 0.2136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.92017 Å |
| Diffraction radiation type | Synchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001679.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4001679.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001679.cif |
| 71983 | 2013-01-21 | cif/ Adding structures of 4001679 via cif-deposit CGI script. |
4001679.cif |
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Users of the data should acknowledge the original authors of the
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