Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571881
Preview
| Coordinates | 1571881.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc |
|---|---|
| Formula | C36 H24 I6 N12 Zn3 |
| Calculated formula | C36 H24 I6 N12 Zn3 |
| Title of publication | Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes. |
| Authors of publication | Carroll, Robert C.; Coles, Simon J. |
| Journal of publication | IUCrJ |
| Year of publication | 2024 |
| Journal volume | 11 |
| Journal issue | 4 |
| a | 35.3704 ± 0.0005 Å |
| b | 14.9099 ± 0.0002 Å |
| c | 31.7401 ± 0.0004 Å |
| α | 90° |
| β | 102.78 ± 0.001° |
| γ | 90° |
| Cell volume | 16324.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| 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 |
|---|---|---|---|
| 292346 (current) | 2024-06-13 | cif/ Adding structures of 1571818, 1571819, 1571820, 1571821, 1571822, 1571823, 1571824, 1571825, 1571826, 1571827, 1571828, 1571829, 1571830, 1571831, 1571832, 1571833, 1571834, 1571835, 1571836, 1571837, 1571838, 1571839, 1571840, 1571841, 1571842, 1571843, 1571844, 1571845, 1571846, 1571847, 1571848, 1571849, 1571850, 1571851, 1571852, 1571853, 1571854, 1571855, 1571856, 1571857, 1571858, 1571859, 1571860, 1571861, 1571862, 1571863, 1571864, 1571865, 1571866, 1571867, 1571868, 1571869, 1571870, 1571871, 1571872, 1571873, 1571874, 1571875, 1571876, 1571877, 1571878, 1571879, 1571880, 1571881, 1571882, 1571883, 1571884 via cif-deposit CGI script. |
1571881.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.