Information card for entry 7106049

Structure parameters

• Formula: C132 H96 Cu7 I3 N12 S8 W2
• Calculated formula: C132 H96 Cu7 I3 N12 S8 W2
• Title of publication: [WS4Cu3I2]- and [WS4Cu4]2+ Secondary Building Units Formed Metal-Organic Framework: Large Tubes in Highly Interpenetrated System
• Authors of publication: Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2919
• a: 25.433 ± 0.001 Å
• b: 31.146 ± 0.002 Å
• c: 20.939 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16586.5 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No