Information card for entry 7122534

Structure parameters

• Formula: C36 H32 Cu3 F24 N8
• Calculated formula: C36 H32 Cu3 F24 N8
• Title of publication: Interaction of the trinuclear copper(I) pyrazolate with alkynes and carbon-carbon triple bond activation
• Authors of publication: Titov, Aleksei; Larionov, Vladimir A.; Smol’yakov, Alexander F.; Godovikova, Maria I.; Titova, Ekaterina M.; Maleev, Victor I.; Shubina, Elena
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 8.55 ± 0.009 Å
• b: 10.66 ± 0.012 Å
• c: 13.468 ± 0.014 Å
• α: 107.62 ± 0.03°
• β: 100.88 ± 0.02°
• γ: 95.18 ± 0.02°
• Cell volume: 1135 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No