Information card for entry 7133237

Structure parameters

• Formula: C216 H440 Al16 Er16 N40 O136
• Calculated formula: C216 H440 Al16 Er16 N40 O136
• Title of publication: Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al4Ln4 molecular rings
• Authors of publication: Sun, Qianru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 28.9871 ± 0.0008 Å
• b: 10.1594 ± 0.0003 Å
• c: 27.5988 ± 0.0007 Å
• α: 90°
• β: 99.049 ± 0.002°
• γ: 90°
• Cell volume: 8026.5 ± 0.4 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No