Information card for entry 4326642

Structure parameters

• Formula: C18 H22 B Cu F4 N4 S
• Calculated formula: C18 H22 B Cu F4 N4 S
• Title of publication: Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands
• Authors of publication: Irene Bassanetti; Luciano Marchiò
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10786 - 10797
• a: 10.46 ± 0.001 Å
• b: 17.394 ± 0.001 Å
• c: 11.542 ± 0.001 Å
• α: 90°
• β: 96.521 ± 0.001°
• γ: 90°
• Cell volume: 2086.4 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No