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Information card for entry 4003036
Preview
| Coordinates | 4003036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | LIFM-114-Acetone |
|---|---|
| Formula | C108 H64 O32 Zr6 |
| Calculated formula | C108 H64 O32 Zr6 |
| Title of publication | All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways |
| Authors of publication | Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5550 |
| a | 21.1937 ± 0.0018 Å |
| b | 42.4945 ± 0.0015 Å |
| c | 17.8951 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16116.6 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 65 |
| Hermann-Mauguin space group symbol | C m m m |
| Hall space group symbol | -C 2 2 |
| Residual factor for all reflections | 0.1278 |
| Residual factor for significantly intense reflections | 0.1175 |
| Weighted residual factors for significantly intense reflections | 0.3434 |
| Weighted residual factors for all reflections included in the refinement | 0.3607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.609 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220455 (current) | 2019-10-29 | cif/ Adding structures of 4003036 via cif-deposit CGI script. |
4003036.cif |
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Users of the data should acknowledge the original authors of the
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