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Information card for entry 4128231
Preview
| Coordinates | 4128231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H20 Fe3 N7 O13 |
|---|---|
| Calculated formula | C44.0001 H20.0013 Fe3 N6.9999 O13 |
| Title of publication | A Single-Crystal Open-Capsule Metal-Organic Framework. |
| Authors of publication | Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 19 |
| Pages of publication | 7906 - 7916 |
| a | 16.8853 ± 0.0004 Å |
| b | 16.8853 ± 0.0004 Å |
| c | 14.8612 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3669.46 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221360 (current) | 2019-11-03 | cif/ Adding structures of 4128231 via cif-deposit CGI script. |
4128231.cif |
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Users of the data should acknowledge the original authors of the
structural data.