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Information card for entry 7249012
Preview
| Coordinates | 7249012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 Cl7.91 N16 Zn2 |
|---|---|
| Calculated formula | C48 H36 Cl7.917 N16 Zn2 |
| Title of publication | Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines |
| Authors of publication | Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 33 |
| Pages of publication | 4418 - 4430 |
| a | 9.932 ± 0.0002 Å |
| b | 14.3027 ± 0.0003 Å |
| c | 19.3085 ± 0.0004 Å |
| α | 90.232 ± 0.002° |
| β | 96.974 ± 0.002° |
| γ | 92.585 ± 0.002° |
| Cell volume | 2719.67 ± 0.1 Å3 |
| Cell temperature | 260.89 K |
| Ambient diffraction temperature | 260.89 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.2139 |
| Weighted residual factors for all reflections included in the refinement | 0.2295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294518 (current) | 2024-09-06 | cif/ Updating files of 7249004, 7249005, 7249006, 7249007, 7249008, 7249009, 7249010, 7249011, 7249012 Original log message: Adding full bibliography for 7249004--7249012.cif. |
7249012.cif |
| 293361 | 2024-07-11 | cif/ Adding structures of 7249004, 7249005, 7249006, 7249007, 7249008, 7249009, 7249010, 7249011, 7249012 via cif-deposit CGI script. |
7249012.cif |
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Users of the data should acknowledge the original authors of the
structural data.