Information card for entry 7216482

Structure parameters

• Formula: C41.5 H51.5 Cu3 N10.5 O11.5
• Calculated formula: C41.5 H51.5 Cu3 N10.5 O11.5
• Title of publication: Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents
• Authors of publication: Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9792
• a: 41.72 ± 0.003 Å
• b: 8.6534 ± 0.0005 Å
• c: 28.881 ± 0.002 Å
• α: 90°
• β: 120.329 ± 0.005°
• γ: 90°
• Cell volume: 8999.6 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No