Information card for entry 7008336

Structure parameters

• Formula: C50 H52 B2 Cl4 F14 N6 Zn
• Calculated formula: C50 H52 B2 Cl4 F14 N6 Zn
• Title of publication: Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.
• Authors of publication: Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2793 - 2797
• a: 14.173 ± 0.003 Å
• b: 10.024 ± 0.003 Å
• c: 19.624 ± 0.003 Å
• α: 90°
• β: 109.28 ± 0.03°
• γ: 90°
• Cell volume: 2631.6 ± 1.2 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 7
• 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: 0.1949
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No