Information card for entry 4074393

Structure parameters

• Formula: C68 H90 N6 Sm2
• Calculated formula: C68 H90 N6 Sm2
• SMILES: C1(CCCCC1)N1[Sm]23456789%10%11([N](C%12CCCCC%12)=C1CCCC)[n]1%12[c]%10([cH]%11[cH]8[cH]91)C[c]18[cH]9[cH]%10[c]%11%13cccc[c]1%11[Sm]1%11%14%15%16%1289%10%13([N](C8CCCCC8)=C(N1C1CCCCC1)CCCC)[n]12[c]%15([cH]%16[cH]%11[cH]%141)C[c]17[cH]3[cH]4[c]25[c]61cccc2.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: 9.215 ± 0.002 Å
• b: 11.225 ± 0.003 Å
• c: 15.391 ± 0.004 Å
• α: 100.531 ± 0.005°
• β: 92.436 ± 0.005°
• γ: 90.513 ± 0.005°
• Cell volume: 1563.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1257
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No