Information card for entry 7033859

Structure parameters

• Formula: C69 H84 B2 Cu2 N16 O2 Si
• Calculated formula: C69 H84 B2 Cu2 N16 O2 Si
• SMILES: [Cu]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)C#[N][Si]12(OC(=c3[n]1c(c(c3C)CC)C)c1ccccc1)(OC(=c1[n]2c(c(c1C)CC)C)c1ccccc1)[N]#C[Cu]12[n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C.Cc1ccccc1
• Title of publication: Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.
• Authors of publication: Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4744 - 4750
• a: 11.0543 ± 0.001 Å
• b: 17.5799 ± 0.0015 Å
• c: 18.9632 ± 0.0015 Å
• α: 97.434 ± 0.006°
• β: 90.778 ± 0.007°
• γ: 105.074 ± 0.007°
• Cell volume: 3524.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No