Information card for entry 4074392

Structure parameters

• Formula: C44 H54 Cl4 Li2 N2 O4 Sm2
• Calculated formula: C44 H54 Cl4 Li2 N2 O4 Sm2
• SMILES: [Sm]123456789%10%11([Cl][Li]([Cl]9)([O]9CCCC9)[O]9CCCC9)[c]9%12[c]4([c]3([cH]2[cH]19)C[c]12[n]35[cH]4[cH]([cH]15)[Sm]19%13%14%15%162345([c]23cccc[c]93[c]%13([cH]%14[cH]12)C[c]1%10[n]6%15[cH]8[cH]7[cH]1%11)[Cl][Li]([Cl]%16)([O]1CCCC1)[O]1CCCC1)cccc%12
• 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: 10.2 ± 0.007 Å
• b: 10.495 ± 0.007 Å
• c: 11.609 ± 0.008 Å
• α: 108.676 ± 0.011°
• β: 93.357 ± 0.011°
• γ: 90.25 ± 0.011°
• Cell volume: 1174.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No