Information card for entry 7031873

Structure parameters

• Formula: C72 H66 N8 Ni3 O18
• Calculated formula: C72 H66 N8 Ni3 O18
• Title of publication: Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.
• Authors of publication: An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12828
• a: 15.1746 ± 0.0009 Å
• b: 15.6375 ± 0.001 Å
• c: 15.6079 ± 0.001 Å
• α: 90°
• β: 117.797 ± 0.001°
• γ: 90°
• Cell volume: 3276.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031648
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No