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Information card for entry 7240113
Preview
| Coordinates | 7240113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H30 I4 N4 O2 |
|---|---|
| Calculated formula | C16 H30 I4 N4 O2 |
| Title of publication | Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state |
| Authors of publication | Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 8.0705 ± 0.0006 Å |
| b | 20.8072 ± 0.0016 Å |
| c | 7.8346 ± 0.0006 Å |
| α | 90° |
| β | 93.907 ± 0.003° |
| γ | 90° |
| Cell volume | 1312.56 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240113.cif |
| 249310 | 2020-03-12 | cif/ Adding structures of 7240107, 7240108, 7240109, 7240110, 7240111, 7240112, 7240113, 7240114, 7240115 via cif-deposit CGI script. |
7240113.cif |
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Users of the data should acknowledge the original authors of the
structural data.