Information card for entry 7701253

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: 19.0932 ± 0.0008 Å
• b: 21.3451 ± 0.0008 Å
• c: 23.1709 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9443.2 ± 0.6 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276.15 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: 0.066
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No