Information card for entry 7709157

Structure parameters

• Formula: C11 H8 N4
• Calculated formula: C11 H8 N4
• 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: 7.3682 ± 0.0007 Å
• b: 7.3765 ± 0.0007 Å
• c: 9.1496 ± 0.0009 Å
• α: 77.206 ± 0.004°
• β: 77.592 ± 0.004°
• γ: 69.48 ± 0.003°
• Cell volume: 449.02 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No