Information card for entry 7033856

Structure parameters

• Formula: C32 H32 N4 O2 S2 Si
• Calculated formula: C32 H32 N4 O2 S2 Si
• SMILES: c1(c(c(c2C(=[O][Si]3(n12)(N=C=S)(n1c(c(c(c1C(=[O]3)c1ccccc1)C)CC)C)N=C=S)c1ccccc1)C)CC)C
• 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: 7.2839 ± 0.0004 Å
• b: 20.7778 ± 0.0013 Å
• c: 10.4718 ± 0.0007 Å
• α: 90°
• β: 102.342 ± 0.005°
• γ: 90°
• Cell volume: 1548.21 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No