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Information card for entry 4126726
Preview
| Coordinates | 4126726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 O18 Zr3 |
|---|---|
| Calculated formula | C40 H30 O18 Zr3 |
| Title of publication | Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning. |
| Authors of publication | Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 40.962 ± 0.017 Å |
| b | 40.962 Å |
| c | 15.438 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 22433 ± 13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203088 (current) | 2017-11-11 | cif/ Adding structures of 4126721, 4126722, 4126723, 4126724, 4126725, 4126726, 4126727, 4126728, 4126729, 4126730, 4126731 via cif-deposit CGI script. |
4126726.cif |
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Users of the data should acknowledge the original authors of the
structural data.