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Information card for entry 4123454
Preview
| Coordinates | 4123454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MOF-177-B |
|---|---|
| Formula | C108 H60 N12 O26 Zn8 |
| Calculated formula | C108 H60 N12 O26 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 | 37.1916 ± 0.0008 Å |
| b | 37.1916 ± 0.0008 Å |
| c | 29.9793 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 35912.2 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1259 |
| Residual factor for significantly intense reflections | 0.0829 |
| Weighted residual factors for significantly intense reflections | 0.2487 |
| Weighted residual factors for all reflections included in the refinement | 0.261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123454.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. |
4123454.cif |
| 131952 | 2015-02-18 | cif/ Adding structures of 4123454 via cif-deposit CGI script. |
4123454.cif |
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Users of the data should acknowledge the original authors of the
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