Information card for entry 4074389

Structure parameters

• Formula: C36 H42 N2 O4 Sm2
• Calculated formula: C36 H42 N2 O4 Sm2
• SMILES: [c]123cccc[c]14[c]15[cH]6[cH]2[Sm]2789%10%113456([n]34[c]5(C1)[cH]1[cH]6[cH]3[Sm]3%12%13%14%15%161456([cH]1[c]4%12cccc[c]4%13[c]%14([cH]1%15)C[c]1%11[n]2%16[cH]7[cH]9[cH]1%10)[O](C)CC[O]3C)[O](CC[O]8C)C
• 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: 13.719 ± 0.005 Å
• b: 18.172 ± 0.006 Å
• c: 8.247 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2056 ± 1.3 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: 0.0694
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No