Information card for entry 7713597

Structure parameters

• Formula: C65 H51 Lu N6
• Calculated formula: C65 H51 Lu N6
• SMILES: [Lu]1234567(N(N=C(c8ccccc8)c8ccccc8)c8c(C=[N]1c1ccccc1)cccc8)[n]1([c]4([cH]7[cH]6[c]51C(c1ccccc1)(c1n2ccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1n3ccc1)C
• Title of publication: Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes
• Authors of publication: Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.6742 ± 0.001 Å
• b: 25.8835 ± 0.0018 Å
• c: 20.5125 ± 0.0014 Å
• α: 90°
• β: 106.966 ± 0.001°
• γ: 90°
• Cell volume: 6944.1 ± 0.8 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No