Information card for entry 4516638

Structure parameters

• Formula: C45 H64 Cu6 F N33 O27
• Calculated formula: C45 H64 Cu6 F N33 O27
• Title of publication: Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.
• Authors of publication: Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 19980 - 19987
• a: 12.9723 ± 0.0014 Å
• b: 15.0889 ± 0.0016 Å
• c: 17.921 ± 0.002 Å
• α: 90.4389 ± 0.0009°
• β: 90.3035 ± 0.0009°
• γ: 93.3656 ± 0.0009°
• Cell volume: 3501.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No