Information card for entry 7004356

Structure parameters

• Formula: C30 H34 Cd N6 O6
• Calculated formula: C30 H34 Cd N6 O6
• Title of publication: The first metal‒organic framework (MOF) of Imazethapyr and its SHG, piezoelectric and ferroelectric properties
• Authors of publication: Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3946 - 3948
• a: 23.8317 ± 0.0012 Å
• b: 12.7975 ± 0.0007 Å
• c: 20.151 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6145.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No