Information card for entry 4074390

Structure parameters

• Formula: C36 H42 N2 O4 Yb2
• Calculated formula: C36 H42 N2 O4 Yb2
• SMILES: [c]123[c]4(cccc1)[c]15[cH]6[cH]2[Yb]2789%10%11%123456([n]34[c]5([cH]6[cH]%13[cH]3[Yb]3%14%15%16%17%18%12456%13([c]45[c]3(cccc4)[c]%14([cH]%15[cH]%165)C[c]38[cH]9[cH]%10[cH]%11[n]2%173)[O](C)CC[O]%18C)C1)[O](C)CC[O]7C
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand
• Authors of publication: Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5165
• a: 13.822 ± 0.005 Å
• b: 18.293 ± 0.006 Å
• c: 7.949 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2009.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No