Information card for entry 7706223

Structure parameters

• Formula: C33.5 H34 Cu3 N9 S3
• Calculated formula: C33.5 H34 Cu3 N9 S3
• Title of publication: Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN_Py weak coordination bonds.
• Authors of publication: Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1733 - 1739
• a: 10.0679 ± 0.0003 Å
• b: 12.141 ± 0.0004 Å
• c: 14.9936 ± 0.0005 Å
• α: 103.592 ± 0.003°
• β: 98.639 ± 0.003°
• γ: 92.783 ± 0.003°
• Cell volume: 1754.48 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0337
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No