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Information card for entry 7229165
Preview
| Coordinates | 7229165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H40 Cu5 I4 N7 O16 Pr2 |
|---|---|
| Calculated formula | C49 H40 Cu5 I4 N7 O16 Pr2 |
| Title of publication | Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid |
| Authors of publication | Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.3153 ± 0.0018 Å |
| b | 21.323 ± 0.004 Å |
| c | 30.484 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6055 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200868 (current) | 2017-09-14 | cif/ Adding structures of 7229165, 7229166, 7229167 via cif-deposit CGI script. |
7229165.cif |
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Users of the data should acknowledge the original authors of the
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