Information card for entry 7033858

Structure parameters

• Formula: C82 H96 B2 Cu2 Fe2 N16 O2 Si
• Calculated formula: C82 H96 B2 Cu2 Fe2 N16 O2 Si
• 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: 10.2646 ± 0.0006 Å
• b: 11.0643 ± 0.0007 Å
• c: 18.1798 ± 0.0011 Å
• α: 98.762 ± 0.005°
• β: 96.679 ± 0.005°
• γ: 90.083 ± 0.005°
• Cell volume: 2026.4 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0992
• 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: Yes
• Has Fobs: No