Information card for entry 4349462

Structure parameters

• Formula: C14 H16 B Dy
• Calculated formula: C14 H16 B Dy
• SMILES: [Dy]123456789%10%11([CH]%12C1[CH]2=[CH]3B([CH]%11=%12)C)[CH]1=[CH]4[CH]5=[CH]6[CH]7=[CH]8[CH]9=[CH]%101
• 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: 12.4412 ± 0.0012 Å
• b: 8.863 ± 0.0008 Å
• c: 11.6155 ± 0.0011 Å
• α: 90°
• β: 97.989 ± 0.001°
• γ: 90°
• Cell volume: 1268.4 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• 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: 0.0187
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No