Information card for entry 4312469

Structure parameters

• Formula: C32 H33 O3 Sm
• Calculated formula: C32 H33 O3 Sm
• SMILES: [Sm]123456789([O](c%10c(c%11c9c(ccc%11)c9c([O]1C)cccc9)cccc%10)C)([O]1CCCC1)[CH]1=[CH]2[CH]3=[CH]4[CH]5=[CH]6[CH]7=[CH]81
• 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: 8.3673 ± 0.0011 Å
• b: 19.78 ± 0.003 Å
• c: 32.181 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5326.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No