Information card for entry 2208138

Structure parameters

• Common name: [Cu~2~(TCT)~2~(NCMe)~2~](BF~4~)~2~
• Chemical name: Bis(μ-thiophene-2-carboxaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)
• Formula: C16 H20 B2 Cu2 F8 N8 S4
• Calculated formula: C16 H20 B2 Cu2 F8 N8 S4
• SMILES: [Cu]123([Cu]4([S]1=C(N)N[N]3=Cc1sccc1)([S]2=C(N)N[N]4=Cc1sccc1)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Bis(μ-thiophene-2-carbaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)
• Authors of publication: Pike, Robert D.; Wiles, Austin B.; Tronic, Tristan A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m347 - m349
• a: 13.3357 ± 0.0003 Å
• b: 9.1867 ± 0.0002 Å
• c: 22.798 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.01 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes