Information card for entry 7003102

Structure parameters

• Formula: C39 H42 F6 N4 Ni2 O18
• Calculated formula: C39 H26 F6 N4 Ni2 O18
• Title of publication: Controllable preparation, network structures and properties of unusual metal‒organic frameworks constructed from 4,4′-(hexafluoroisopropylidene)diphthalic acid and 4,4′-bipyridyl
• Authors of publication: Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2346 - 2354
• a: 24.094 ± 0.005 Å
• b: 8.1984 ± 0.0016 Å
• c: 11.307 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2233.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No