Information card for entry 4516633

Structure parameters

• Formula: C36 H24 Br2 Cu12 N36 Na2 O24
• Calculated formula: C36 H24 Br2 Cu12 N36 Na2 O24
• 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: 10.327 ± 0.005 Å
• b: 13.165 ± 0.006 Å
• c: 13.182 ± 0.006 Å
• α: 89.986 ± 0.005°
• β: 81.289 ± 0.004°
• γ: 68.559 ± 0.004°
• Cell volume: 1645.9 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No