Information card for entry 7017999

Structure parameters

• Formula: C40 H42 Sm
• Calculated formula: C40 H42 Sm
• SMILES: [Sm]12345678([c]9([c]1([c]2([c]3([c]49Cc1cccc2ccccc12)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)Cc1cccc2ccccc12)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: 15.9579 ± 0.0017 Å
• b: 12.1851 ± 0.0012 Å
• c: 16.6516 ± 0.0018 Å
• α: 90°
• β: 109.624 ± 0.003°
• γ: 90°
• Cell volume: 3049.8 ± 0.6 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No