Information card for entry 7709167

Structure parameters

• Formula: C26 H16 N6 O4 Zn2
• Calculated formula: C26 H16 N6 O4 Zn2
• Title of publication: Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines
• Authors of publication: Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 35.314 ± 0.004 Å
• b: 9.6459 ± 0.001 Å
• c: 11.2289 ± 0.0011 Å
• α: 90°
• β: 102.392 ± 0.003°
• γ: 90°
• Cell volume: 3735.8 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No