Information card for entry 2008908

Structure parameters

• Common name: [(Cu2Cl3)](H2bpds)(BF4)
• Chemical name: Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)
• Formula: C20 H20 B2 Cl6 Cu2 F8 N4 S4
• Calculated formula: C20 H20 B2 Cl6 Cu2 F8 N4 S4
• SMILES: [Cu]1(Cl)(Cl)[Cl][Cu](Cl)([Cl]1)Cl.S(Sc1cc[nH+]cc1)c1cc[nH+]cc1.S(Sc1cc[nH+]cc1)c1cc[nH+]cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)
• Authors of publication: Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1422 - 1425
• a: 5.9096 ± 0.0011 Å
• b: 9.9845 ± 0.0017 Å
• c: 14.394 ± 0.003 Å
• α: 95.053 ± 0.017°
• β: 93.762 ± 0.019°
• γ: 99.544 ± 0.017°
• Cell volume: 831.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes