Information card for entry 2219365

Structure parameters

• Chemical name: Bis(3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium) di-μ-bromido-bis[bromidocuprate(I)]
• Formula: C38 H36 Br4 Cu2 N6
• Calculated formula: C38 H36 Br4 Cu2 N6
• SMILES: C(#N)c1ccc(cc1)Cn1c([n+](CC=C)c2ccccc12)C.Br[Cu]12[Br][Cu]2(Br)[Br]1.C(#N)c1ccc(cc1)Cn1c([n+](CC=C)c2ccccc12)C
• Title of publication: Bis[3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium] di-μ-bromido-bis[bromidocuprate(I)]
• Authors of publication: Xu, Guang-Hai; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1198
• a: 9.6407 ± 0.0005 Å
• b: 10.1029 ± 0.0011 Å
• c: 11.0389 ± 0.0006 Å
• α: 87.27 ± 0.02°
• β: 69.99 ± 0.017°
• γ: 81.41 ± 0.02°
• Cell volume: 998.93 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes