Information card for entry 7017998

Structure parameters

• Formula: C48 H58 O2 Sm
• Calculated formula: C48 H58 O2 Sm
• SMILES: [Sm]12345678([O]9CCCC9)([O]9CCCC9)([c]9([c]1([c]2([c]3([c]49Cc1cccc2ccccc12)C)C)C)C)[c]1([c]5([c]6([c]7([c]81Cc1cccc2ccccc12)C)C)C)C
• Title of publication: A naphthyl-substituted pentamethylcyclopentadienyl ligand and its Sm(II) bent-metallocene complexes with solvent-induced structure change.
• Authors of publication: Yatabe, Takeshi; Karasawa, Masaki; Isobe, Kiyoshi; Ogo, Seiji; Nakai, Hidetaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 354 - 356
• a: 15.8327 ± 0.0015 Å
• b: 14.13 ± 0.0013 Å
• c: 18.3007 ± 0.0018 Å
• α: 90°
• β: 104.286 ± 0.0005°
• γ: 90°
• Cell volume: 3967.5 ± 0.7 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No