Information card for entry 2218934

Structure parameters

• Chemical name: 3,3'-Bis(4-fluorobenzyl)-1,1'-ethylenediimidazolium tribromidocuprate(I)
• Formula: C22 H22 Br3 Cu F2 N4
• Calculated formula: C22 H22 Br3 Cu F2 N4
• SMILES: C(n1c[n+](cc1)Cc1ccc(F)cc1)Cn1c[n+](cc1)Cc1ccc(F)cc1.[Br-][Cu]([Br-])Br
• Title of publication: 3,3'-Bis(4-fluorobenzyl)-1,1'-ethylenediimidazolium tribromidocuprate(I)
• Authors of publication: Lee, Hon Man; Lu, Chi-Ying; Cheng, Pi-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1028
• a: 15.4994 ± 0.0011 Å
• b: 11.0825 ± 0.0008 Å
• c: 15.4464 ± 0.0012 Å
• α: 90°
• β: 117.582 ± 0.004°
• γ: 90°
• Cell volume: 2351.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes