Information card for entry 7701252

Structure parameters

• Formula: C36 H56 Br4 Cu4 N8
• Calculated formula: C36 H56 Br4 Cu4 N8
• Title of publication: Brightly phosphorescent tetranuclear copper(i) pyrazolates.
• Authors of publication: Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 14979 - 14983
• a: 18.9169 ± 0.0015 Å
• b: 20.9151 ± 0.0016 Å
• c: 22.8836 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9053.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No