Information card for entry 7008335

Structure parameters

• Formula: C49 H50 B2 Cl2 Cu2 F14 N6
• Calculated formula: C49 H50 B2 Cl2 Cu2 F14 N6
• 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: 10.262 ± 0.0002 Å
• b: 10.652 ± 0.0002 Å
• c: 14.212 ± 0.0004 Å
• α: 69.395 ± 0.001°
• β: 71.443 ± 0.001°
• γ: 64.554 ± 0.001°
• Cell volume: 1287.18 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No