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Information card for entry 7229364
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| Coordinates | 7229364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 Cd N2 O13 |
|---|---|
| Calculated formula | C28 H24 Cd N2 O13 |
| Title of publication | Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker |
| Authors of publication | Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 12.784 ± 0.004 Å |
| b | 13.024 ± 0.004 Å |
| c | 16.815 ± 0.006 Å |
| α | 90° |
| β | 91 ± 0.02° |
| γ | 90° |
| Cell volume | 2799.3 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202141 (current) | 2017-10-19 | cif/ Adding structures of 7229363, 7229364 via cif-deposit CGI script. |
7229364.cif |
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Users of the data should acknowledge the original authors of the
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