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Information card for entry 7239041
Preview
| Coordinates | 7239041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H24 N10 Ni S2 |
|---|---|
| Calculated formula | C19 H24 N10 Ni S2 |
| Title of publication | Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands |
| Authors of publication | Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 36 |
| Pages of publication | 16021 |
| a | 8.8512 ± 0.0018 Å |
| b | 11.923 ± 0.002 Å |
| c | 13.48 ± 0.003 Å |
| α | 65.61 ± 0.03° |
| β | 89.96 ± 0.03° |
| γ | 70.44 ± 0.03° |
| Cell volume | 1205.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0912 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239041.cif |
| 244519 | 2019-11-28 | cif/ Adding structures of 7239040, 7239041, 7239042, 7239043, 7239044 via cif-deposit CGI script. |
7239041.cif |
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Users of the data should acknowledge the original authors of the
structural data.