Information card for entry 7025546

Structure parameters

• Formula: C20 H39 N Ni2 O21
• Calculated formula: C20 H23 N Ni2 O17
• Title of publication: Tetracarboxylate-based Co(II), Ni(II) and Cu(II) three-dimensional coordination polymers: syntheses, structures and magnetic properties.
• Authors of publication: Su, Shengqun; Guo, Zhiyong; Li, Guanghua; Deng, Ruiping; Song, Shuyan; Qin, Chao; Pan, Chengling; Guo, Huadong; Cao, Feng; Wang, Song; Zhang, Hongjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9123 - 9130
• a: 10.247 ± 0.002 Å
• b: 15.25 ± 0.003 Å
• c: 20.946 ± 0.004 Å
• α: 90°
• β: 99.91 ± 0.03°
• γ: 90°
• Cell volume: 3224.3 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No