Information card for entry 7202180

Structure parameters

• Formula: C90 H120 Ag4 Cu12 N68 O40 S2
• Calculated formula: C90 H116 Ag4 Cu12 N68 O40 S2
• Title of publication: Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination
• Authors of publication: Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1467
• a: 13.9955 ± 0.001 Å
• b: 24.0892 ± 0.0019 Å
• c: 21.0625 ± 0.0016 Å
• α: 90°
• β: 96.991 ± 0.002°
• γ: 90°
• Cell volume: 7048.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No