Information card for entry 7721060

Structure parameters

• 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 ų
• 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