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Information card for entry 4514575
Preview
| Coordinates | 4514575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H40 Cd2 N16 O8 |
|---|---|
| Calculated formula | C64 H40 Cd2 N16 O8 |
| Title of publication | Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction. |
| Authors of publication | Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 23 |
| Pages of publication | 20995 - 21003 |
| a | 15.0446 ± 0.0006 Å |
| b | 15.3208 ± 0.0006 Å |
| c | 18.3342 ± 0.0006 Å |
| α | 77.504 ± 0.003° |
| β | 66.142 ± 0.004° |
| γ | 88.035 ± 0.003° |
| Cell volume | 3766.6 ± 0.3 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1513 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219759 (current) | 2019-10-28 | cif/ Adding structures of 4514575 via cif-deposit CGI script. |
4514575.cif |
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Users of the data should acknowledge the original authors of the
structural data.