Information card for entry 4074391

Structure parameters

• Formula: C50 H60 Cl4 Er2 Li2 N2 O4
• Calculated formula: C50 H60 Cl4 Er2 Li2 N2 O4
• SMILES: [c]123[c]45[c]6(cccc4)[Er]4715([cH]2[cH]64)([n]1([Li]24[O]5CCCC5)c(C3)ccc1)([O]1CCCC1)([Cl]2[Er]12356([c]8([cH]1[cH]2[c]13cccc[c]861)Cc1[n]5([Li]23[O]4CCCC4)ccc1)([O]1CCCC1)([Cl]72)[Cl]4)[Cl]3.c1ccccc1
• 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: 11.699 ± 0.004 Å
• b: 18.752 ± 0.006 Å
• c: 12.686 ± 0.004 Å
• α: 90°
• β: 110.629 ± 0.004°
• γ: 90°
• Cell volume: 2604.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No