Information card for entry 4069289

Structure parameters

• Formula: C57 H85 Al K N4 Sm
• Calculated formula: C57 H85 Al K N4 Sm
• SMILES: [Sm]123(n4c(ccc4C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)(n1c(ccc1C=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)[CH2](C)[Al]([CH2]3C)(CC)CC.[K+].Cc1ccccc1
• Title of publication: Monomeric and Linear Polymeric Samarium(II) Complexes of the 2-(N-Arylimino)pyrrolide Ligand
• Authors of publication: Hao, Jingjun; Song, Haibin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3100
• a: 11.576 ± 0.002 Å
• b: 35.84 ± 0.007 Å
• c: 13.549 ± 0.003 Å
• α: 90°
• β: 99.62 ± 0.03°
• γ: 90°
• Cell volume: 5542 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No