Information card for entry 7003103

Structure parameters

• Formula: C78 H50 F12 N8 Ni3 O18
• Calculated formula: C78 H50 F12 N8 Ni3 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: 28.026 ± 0.006 Å
• b: 12.176 ± 0.002 Å
• c: 21.761 ± 0.004 Å
• α: 90°
• β: 92.48 ± 0.03°
• γ: 90°
• Cell volume: 7419 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No