Information card for entry 4088082

Structure parameters

• Formula: C76 H116 Al2 Sm2
• Calculated formula: C76 H116 Al2 Sm2
• SMILES: [CH3]1[Al](C)(C)[CH3][Sm]23456789([CH3][Al](C)(C)[CH3][Sm]%10%11%12%13%14%15%16%171([c]1([c]%10(C)[c]%17([c]%11([c]%121C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.c1c(cccc1)C.c1cccc(c1)C.c1c(cccc1)C.c1cccc(c1)C
• Title of publication: Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
• Authors of publication: Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5734
• a: 11.1956 ± 0.0015 Å
• b: 12.6663 ± 0.0016 Å
• c: 15.014 ± 0.003 Å
• α: 106.392 ± 0.002°
• β: 100.659 ± 0.002°
• γ: 111.773 ± 0.002°
• Cell volume: 1793.8 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No