Information card for entry 7706220

Structure parameters

• Formula: C38 H40 Cu3 N9 S3
• Calculated formula: C38 H40 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: 11.7467 ± 0.0008 Å
• b: 14.2967 ± 0.0011 Å
• c: 14.4607 ± 0.0011 Å
• α: 117.989 ± 0.008°
• β: 93.212 ± 0.006°
• γ: 111.492 ± 0.007°
• Cell volume: 1917 ± 0.3 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: 0.1159
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No