Information card for entry 1573118

Structure parameters

• Formula: C69 H84 Er N8
• Calculated formula: C62 H76 Er N8
• SMILES: [Er]123([N](=Cc4c2n(c2c4cccc2)CCN2CCCCC2)C24CC5CC(C2)CC(C4)C5)([N](=Cc2c3n(c3c2cccc3)CCN2CCCCC2)C23CC4CC(C2)CC(C3)C4)[n]2ccccc2c2[n]1cccc2
• Title of publication: Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives.
• Authors of publication: Wu, Weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, Zeming; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20315 - 20327
• a: 14.584 ± 0.009 Å
• b: 14.899 ± 0.009 Å
• c: 15.053 ± 0.009 Å
• α: 75.276 ± 0.006°
• β: 84.282 ± 0.006°
• γ: 74.311 ± 0.006°
• Cell volume: 3044 ± 3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.228
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No