Information card for entry 4304570

Structure parameters

• Formula: C46 H58 B2 Cl4 Cu2 F8 N6 O2 S4
• Calculated formula: C46 H58 B2 Cl4 Cu2 F8 N6 O2 S4
• Title of publication: CuI Complexes with N,N',S,S' Scorpionate Ligands: Evidence for Dimer-Monomer Equilibria
• Authors of publication: Marcello Gennari; Matteo Tegoni; Maurizio Lanfranchi; Maria Angela Pellinghelli; Marco Giannetto; Luciano Marchiò
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2223 - 2232
• a: 10.548 ± 0.001 Å
• b: 12.138 ± 0.001 Å
• c: 12.78 ± 0.001 Å
• α: 111.2 ± 0.01°
• β: 101.16 ± 0.01°
• γ: 101.29 ± 0.02°
• Cell volume: 1432.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No