Information card for entry 7033857

Structure parameters

• Formula: C19 H28 B Cu N8
• Calculated formula: C19 H28 B Cu N8
• SMILES: [Cu]12([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)[N]#CC.N#CC
• 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: 7.888 ± 0.0006 Å
• b: 34.301 ± 0.002 Å
• c: 8.8321 ± 0.0007 Å
• α: 90°
• β: 112.025 ± 0.006°
• γ: 90°
• Cell volume: 2215.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0642
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No