Information card for entry 4069291

Structure parameters

• Formula: C50 H74 N4 O2 Sm
• Calculated formula: C50 H74 N4 O2 Sm
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=Cc2n([Sm]31([O]1CCCC1)([N](c1c(cccc1C(C)C)C(C)C)=Cc1n3c(cc1)C(C)(C)C)[O]1CCCC1)c(cc2)C(C)(C)C
• 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: 13.591 ± 0.003 Å
• b: 20.265 ± 0.004 Å
• c: 18.043 ± 0.004 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 4969.4 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No