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Information card for entry 7721060
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| Coordinates | 7721060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HE-PTD |
|---|---|
| Formula | C13 H15 N7 O2 |
| Calculated formula | C13 H15 N7 O2 |
| Title of publication | Development and Comparative Study of a Hydrophilic Bis-Triazolyl-Phenanthroline and Two Bis-Triazolyl-Pyridine Ligands |
| Authors of publication | Wan, Yong Qiang; Zhang, Yang Yang; Zhang, Shi Lin; Hao, Huai Xin; Bai, Ji Yao; Ma, Zhi Jun; Geng, Long; Wang, Zhipeng; Gallagher, John F.; Li, Jun; Mocilac, Pavle |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 8.42287 ± 0.00015 Å |
| b | 7.05057 ± 0.00012 Å |
| c | 23.7774 ± 0.0004 Å |
| α | 90° |
| β | 95.2579 ± 0.0015° |
| γ | 90° |
| Cell volume | 1406.1 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.2 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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