Information card for entry 2018102

Structure parameters

• Chemical name: <i>catena</i>-poly[diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) [μ~3~-chlorido-tetra-μ~2~-chlorido-tricuprate(I)]]
• Formula: C10 H16 Cl5 Cu3 N4 Se2
• Calculated formula: C10 H16 Cl5 Cu3 N4 Se2
• SMILES: [Se](c1n(C)cc[n+]1C)[Se]c1n(C)cc[n+]1C.[Se](c1n(C)cc[n+]1C)[Se]c1n(C)cc[n+]1C.[Cu]1[Cl][Cu]2[Cl]1[Cu]1([Cl]2)[Cl][Cu]2([Cl]1)[Cl][Cu]1[Cl]2[Cu]([Cl]1)(Cl)Cl
• Title of publication: The diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) dication stabilized by the polymeric <i>catena</i>-pentachloridotricuprate(I) anion
• Authors of publication: Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m208 - m210
• a: 12.238 ± 0.002 Å
• b: 12.217 ± 0.002 Å
• c: 14.123 ± 0.003 Å
• α: 90°
• β: 108.61 ± 0.03°
• γ: 90°
• Cell volume: 2001.1 ± 0.7 ų
• Cell temperature: 168.15 K
• Ambient diffraction temperature: 168.15 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes