Information card for entry 4326634

Structure parameters

• Formula: C42 H38 B2 Cu2 F8 N10 S2
• Calculated formula: C42 H38 B2 Cu2 F8 N10 S2
• SMILES: [B](F)(F)(F)[F-].[Cu]12([N]#CC)[n]3cccn3C(c3c(cccc3)[S](c3ccccc3)[Cu]3([N]#CC)[n]4cccn4C(c4ccccc4[S]2c2ccccc2)n2ccc[n]32)n2ccc[n]12.[B](F)(F)(F)[F-]
• 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: 26.105 ± 0.003 Å
• b: 8.08 ± 0.001 Å
• c: 21.356 ± 0.002 Å
• α: 90°
• β: 99.832 ± 0.002°
• γ: 90°
• Cell volume: 4438.4 ± 0.9 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No