Information card for entry 1569460

Structure parameters

• Formula: C18 H22 B2 Cu3 F8 N12 O
• Calculated formula: C18 H22 B2 Cu3 F8 N12 O
• Title of publication: Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview
• Authors of publication: Cañón-Mancisidor, Walter; Hermosilla-Ibáñez, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Gómez-García, Carlos J.; Venegas-Yazigi, Diego
• Journal of publication: Magnetochemistry
• Year of publication: 2023
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 155
• a: 16.4768 ± 0.0017 Å
• b: 10.4768 ± 0.0004 Å
• c: 17.6691 ± 0.001 Å
• α: 90°
• β: 107.092 ± 0.009°
• γ: 90°
• Cell volume: 2915.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No