Information card for entry 7202109

Structure parameters

• Formula: C18 H18 N4 Ni O5
• Calculated formula: C18 H18 N4 Ni O5
• Title of publication: A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand
• Authors of publication: Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1410
• a: 6.961 ± 0.004 Å
• b: 19.331 ± 0.008 Å
• c: 13.812 ± 0.007 Å
• α: 90°
• β: 95.43 ± 0.02°
• γ: 90°
• Cell volume: 1850.2 ± 1.6 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: 0.0393
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No