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Information card for entry 4345241
Preview
| Coordinates | 4345241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H32 Co8 N8 O25 |
|---|---|
| Calculated formula | C48 H32 Co8 N8 O25 |
| Title of publication | A Mixed-Cluster Approach for Building a Highly Porous Cobalt(II) Isonicotinic Acid Framework: Gas Sorption Properties and Computational Analyses |
| Authors of publication | Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Jiang, Zhi-Hao; Wang, Xing-Dong; Du, Miao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2017 |
| a | 17.3699 ± 0.001 Å |
| b | 17.3699 ± 0.001 Å |
| c | 19.8944 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6002.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 119 |
| Hermann-Mauguin space group symbol | I -4 m 2 |
| Hall space group symbol | I -4 -2 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.17 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192371 (current) | 2017-02-21 | cif/ Adding structures of 4345241 via cif-deposit CGI script. |
4345241.cif |
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Users of the data should acknowledge the original authors of the
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