Information card for entry 7712108

Structure parameters

• Formula: C132 H172 N8 Sm2
• Calculated formula: C132 H172 N8 Sm2
• Title of publication: Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.
• Authors of publication: Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 15.9605 ± 0.0002 Å
• b: 17.7059 ± 0.0002 Å
• c: 21.0634 ± 0.0003 Å
• α: 95.182 ± 0.001°
• β: 96.057 ± 0.001°
• γ: 98.32 ± 0.001°
• Cell volume: 5823.06 ± 0.13 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No