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Information card for entry 4518517
Preview
| Coordinates | 4518517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 N12 Ni2 O12 S2 |
|---|---|
| Calculated formula | C32 H36 N12 Ni2 O12 S2 |
| Title of publication | Exploring Reversible Thermochromic Behavior in a Rare Ni(II)-MOF System. |
| Authors of publication | Zhang, Shihui; Zhang, Shuyu; Yin, Nan; Huang, Zhenqi; Xu, Wenhua; Yue, Kefen; Li, Xiuyuan; Li, Dongsheng |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 6430 - 6441 |
| a | 21.5743 ± 0.0008 Å |
| b | 21.5743 ± 0.0008 Å |
| c | 34.449 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16034.3 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262402 (current) | 2021-03-03 | cif/ Adding structures of 4518517 via cif-deposit CGI script. |
4518517.cif |
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