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Information card for entry 2023469
Preview
| Coordinates | 2023469.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[tetraaquabis[4,7-bis(1<i>H</i>-pyrazol-4-yl)benzo[<i>c</i>][1,2,5]thiadiazole][μ~4~-5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[<i>lmn</i>][3,8]phenanthroline-2,7-diyl)diisophthalato]dinickel(II)] |
|---|---|
| Formula | C60 H50 N16 Ni2 O19 S2 |
| Calculated formula | C60 H50 N16 Ni2 O19 S2 |
| Title of publication | An Ni-based coordination polymer with a bamboo-like crystal structure. |
| Authors of publication | Li, Yi; Xie, Wang; Lin, Chen |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 5 |
| Pages of publication | 377 - 380 |
| a | 9.5384 ± 0.0004 Å |
| b | 10.1543 ± 0.0004 Å |
| c | 16.2521 ± 0.0008 Å |
| α | 81.511 ± 0.003° |
| β | 75.79 ± 0.003° |
| γ | 75.92 ± 0.003° |
| Cell volume | 1473.62 ± 0.11 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.2316 |
| Weighted residual factors for all reflections included in the refinement | 0.2474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299939 (current) | 2025-06-03 | cif/ Updating files of 2023469 Original log message: Adding full bibliography for 2023469.cif. |
2023469.cif |
| 299236 | 2025-04-09 | cif/ Adding structures of 2023469 via cif-deposit CGI script. |
2023469.cif |
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Users of the data should acknowledge the original authors of the
structural data.