Information card for entry 7032526

Structure parameters

• Formula: C74 H84 Br2 Cu6 N18 O21 P2
• Calculated formula: C74 H74 Br2 Cu6 N18 O21 P2
• Title of publication: Four new trinuclear {Cu3(μ3-OH)(oximate)3}(2+) clusters: crystal structure and magnetic behaviour.
• Authors of publication: Speed, Saskia; Font-Bardía, Mercè; El Fallah, M. Salah; Vicente, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16919 - 16927
• a: 12.302 ± 0.003 Å
• b: 13.355 ± 0.003 Å
• c: 15.779 ± 0.005 Å
• α: 109.133 ± 0.004°
• β: 95.518 ± 0.004°
• γ: 113.774 ± 0.003°
• Cell volume: 2161.8 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0723
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No