Information card for entry 4068107

Structure parameters

• Formula: C67 H95 B N3 O2 Si2 Sm
• Calculated formula: C67 H95 B N3 O2 Si2 Sm
• SMILES: [Sm]1(N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)([O]2CCCC2)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]
• Authors of publication: Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1017
• a: 12.9937 ± 0.0018 Å
• b: 13.2278 ± 0.0019 Å
• c: 18.722 ± 0.003 Å
• α: 87.865 ± 0.007°
• β: 84.872 ± 0.006°
• γ: 82.374 ± 0.007°
• Cell volume: 3175.6 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No