Information card for entry 7200303

Structure parameters

• Formula: C60 H75 N13 Ni2 O14
• Calculated formula: C40 H28 N8 Ni2 O9
• Title of publication: Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units
• Authors of publication: Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 274
• a: 14.248 ± 0.004 Å
• b: 26.912 ± 0.009 Å
• c: 18.125 ± 0.003 Å
• α: 90°
• β: 100.584 ± 0.006°
• γ: 90°
• Cell volume: 6832 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No