Information card for entry 4349463

Structure parameters

• Formula: C17 H23 B Dy N
• Calculated formula: C17 H23 B Dy N
• SMILES: [Dy]123456789%10%11([CH]%12=[CH]7[CH]6=[CH]5[CH]4=[CH]3[CH]2=[CH]1%12)[CH]1C8[CH]9=[CH]%10B([CH]=1%11)N(CC)CC
• Title of publication: (Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet
• Authors of publication: Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 828
• a: 16.956 ± 0.003 Å
• b: 8.5607 ± 0.0013 Å
• c: 11.4844 ± 0.0018 Å
• α: 90°
• β: 101.187 ± 0.003°
• γ: 90°
• Cell volume: 1635.3 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No