Information card for entry 2211608

Structure parameters

• Chemical name: rac-(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(acetonitrile)[2,2'-bis(1-propyl-1H-benzimidazol-2-yl)biphenyl]copper(I) bis(perchlorate)
• Formula: C70 H69 Cl2 Cu2 N11 O8
• Calculated formula: C70 H69 Cl2 Cu2 N11 O8
• SMILES: [Cu]1([n]2c([n](c3c2cccc3)CCC)c2c(cccc2)c2c(cccc2)c2[n](c3c([n]12)cccc3)CCC)([N]#CC)[N]#CC.[Cu]1([N]#CC)[n]2c([n](c3c2cccc3)CCC)c2c(cccc2)c2c(cccc2)c2[n](c3c([n]12)cccc3)CCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A structure with trigonally and tetrahedrally coordinated Cu^I^ cations: <i>rac</i>-(acetonitrile)[2,2'-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)biphenyl]copper(I) bis(acetonitrile)[2,2'-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)biphenyl]copper(I) bis(perchlorate)
• Authors of publication: Robert T. Stibrany; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3425 - m3428
• a: 8.8593 ± 0.0015 Å
• b: 17.407 ± 0.003 Å
• c: 22.76 ± 0.004 Å
• α: 71.424 ± 0.003°
• β: 87.901 ± 0.003°
• γ: 88.588 ± 0.003°
• Cell volume: 3324.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes