Information card for entry 7209218

Structure parameters

• Formula: C17 H19 B2 Cu F8 N7 O4
• Calculated formula: C17 H19 B2 Cu F8 N7 O4
• Title of publication: Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex
• Authors of publication: Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1836
• a: 10.2636 ± 0.0004 Å
• b: 19.9663 ± 0.0007 Å
• c: 12.0807 ± 0.0005 Å
• α: 90°
• β: 99.979 ± 0.003°
• γ: 90°
• Cell volume: 2438.2 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1179
• 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: Yes
• Has Fobs: No