Information card for entry 4312470

Structure parameters

• Formula: C36 H41 O Sm
• Calculated formula: C36 H41 O Sm
• SMILES: [O]1([Sm]2345678([CH]9=[CH]2[CH]3=[CH]4[CH]5=[CH]6[CH]7=[CH]89)c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)CCCC1
• Title of publication: Terphenyl Cyclooctatetraenyl Compounds of Samarium
• Authors of publication: Gerd W. Rabe; Mei Zhang-Presse; Florian A. Riederer; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7587 - 7592
• a: 14.192 ± 0.0009 Å
• b: 14.9607 ± 0.0009 Å
• c: 28.2053 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5988.6 ± 0.6 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No