Information card for entry 2218979

Structure parameters

• Chemical name: Bis(diallylbenzimidazolium) tetrabromidocuprate(II)
• Formula: C26 H30 Br4 Cu N4
• Calculated formula: C26 H30 Br4 Cu N4
• SMILES: Br[Cu](Br)([Br-])[Br-].n1(c2ccccc2[n+](c1)CC=C)CC=C.n1(c2ccccc2[n+](c1)CC=C)CC=C
• Title of publication: Bis(diallylbenzimidazolium) tetrabromidocuprate(II)
• Authors of publication: Mys'kiv, Marian; Goreshnik, Evgeny
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1075
• a: 10.8619 ± 0.0007 Å
• b: 15.3447 ± 0.0007 Å
• c: 18.3282 ± 0.001 Å
• α: 90°
• β: 105.451 ± 0.002°
• γ: 90°
• Cell volume: 2944.4 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes