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Information card for entry 1558961
Preview
| Coordinates | 1558961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | NJU-Bai61 |
|---|---|
| Formula | C33 H45 Cu13 I11 N12 O7 |
| Calculated formula | C33 H45 Cu13 I11 N12 O7 |
| Title of publication | Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4 |
| Authors of publication | Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 25.1585 ± 0.0014 Å |
| b | 25.1585 ± 0.0014 Å |
| c | 25.1585 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15924.1 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1819 |
| Weighted residual factors for all reflections included in the refinement | 0.1992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255812 (current) | 2020-09-03 | cif/ Adding structures of 1558961, 1558962 via cif-deposit CGI script. |
1558961.cif |
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