Information card for entry 4088083

Structure parameters

• Formula: C76 H116 Al2 Yb2
• Calculated formula: C76 H116 Al2 Yb2
• SMILES: [CH3]1[Al](C)(C)[CH3][Yb]23456789([CH3][Al](C)(C)[CH3][Yb]%10%11%12%13%14%15%16%171([c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]%15([c]%16([c]%17([c]%101C)C)C)C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]7([c]8([c]9([c]21C)C)C)C)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)C.c1c(cccc1)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: 11.2233 ± 0.0008 Å
• b: 12.409 ± 0.0009 Å
• c: 14.7476 ± 0.0016 Å
• α: 103.431 ± 0.0012°
• β: 100.205 ± 0.0011°
• γ: 112.066 ± 0.0008°
• Cell volume: 1769.9 ± 0.3 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: 0.0327
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No