Information card for entry 4501619

Structure parameters

• Formula: C66 H54 O27 Zn4
• Calculated formula: C66 H48 O27 Zn4
• Title of publication: New Metal−Organic Framework with Uninodal 4-Connected Topology Displaying Interpenetration, Self-Catenation, and Second-Order Nonlinear Optical Response
• Authors of publication: Liu, Tian-Fu; Lü, Jian; Guo, Zhengang; Proserpio, Davide M.; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1489
• a: 19.891 ± 0.003 Å
• b: 24.552 ± 0.005 Å
• c: 29.286 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14302 ± 5 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No