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Information card for entry 7229302
Preview
| Coordinates | 7229302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HHU-4 |
|---|---|
| Chemical name | HHU-4 |
| Formula | C66 H30 Cu6 O33 |
| Calculated formula | C66 H30 Cu6 O33 |
| Title of publication | Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption |
| Authors of publication | Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 75 |
| Pages of publication | 47219 |
| a | 24.6748 ± 0.0011 Å |
| b | 33.5109 ± 0.0015 Å |
| c | 18.4547 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15259.7 ± 1.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.15 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1828 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201851 (current) | 2017-10-07 | cif/ Adding structures of 7229301, 7229302 via cif-deposit CGI script. |
7229302.cif |
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Users of the data should acknowledge the original authors of the
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