Information card for entry 7207398

Structure parameters

• Formula: C25.9 H23.1 N5.3 Ni O5.3
• Calculated formula: C22 H14 N4 Ni O4
• Title of publication: Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties
• Authors of publication: Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1681
• a: 22.3163 ± 0.0005 Å
• b: 22.3163 ± 0.0005 Å
• c: 12.7222 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6335.9 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No