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Information card for entry 4123453
Preview
| Coordinates | 4123453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MOF-177-D |
|---|---|
| Formula | C115.5 H67.5 O33.5 Zn8 |
| Calculated formula | C115.5 H67.5 O33.5 Zn8 |
| Title of publication | Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177. |
| Authors of publication | Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 7 |
| Pages of publication | 2641 - 2650 |
| a | 37.151 ± 0.0003 Å |
| b | 37.151 ± 0.0003 Å |
| c | 30.042 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 35908.8 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 163 |
| Hermann-Mauguin space group symbol | P -3 1 c |
| Hall space group symbol | -P 3 2c |
| Residual factor for all reflections | 0.1315 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2702 |
| Weighted residual factors for all reflections included in the refinement | 0.2944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4123453.cif |
| 132881 | 2015-03-04 | cif/ Updating files of 4123443, 4123444, 4123445, 4123446, 4123447, 4123448, 4123449, 4123450, 4123451, 4123452, 4123453, 4123454, 4123455 Original log message: Adding full bibliography for 4123443--4123455.cif. |
4123453.cif |
| 131951 | 2015-02-18 | cif/ Adding structures of 4123453 via cif-deposit CGI script. |
4123453.cif |
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Users of the data should acknowledge the original authors of the
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