Information card for entry 7045237

Structure parameters

• Formula: C60 H68 N5 Ni4 O14 S5
• Calculated formula: C60 H68 N5 Ni4 O14 S5
• Title of publication: A metal-calixarene coordination nanotube with 5-(pyrimidin-5-yl)isophthalic acid.
• Authors of publication: Hang, Xinxin; Liu, Bing; Wang, Shentang; Liu, Yunling; Liao, Wuping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1782 - 1785
• a: 13.2812 ± 0.0006 Å
• b: 22.131 ± 0.0009 Å
• c: 27.4033 ± 0.0012 Å
• α: 90°
• β: 103.714 ± 0.002°
• γ: 90°
• Cell volume: 7824.9 ± 0.6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No