Information card for entry 4326643

Structure parameters

• Formula: C82 H78 B2 Cu2 F8 N8 P2 S2
• Calculated formula: C82 H78 B2 Cu2 F8 N8 P2 S2
• 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: 14.345 ± 0.001 Å
• b: 14.54 ± 0.001 Å
• c: 18.668 ± 0.002 Å
• α: 96.202 ± 0.001°
• β: 90.753 ± 0.001°
• γ: 91.947 ± 0.001°
• Cell volume: 3868.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No