Information card for entry 7125582

Structure parameters

• Formula: C39 H47 N2 P2 Si2 Sm
• Calculated formula: C39 H47 N2 P2 Si2 Sm
• Title of publication: A samarium cyclooctatetraene complex as catalyst for hydroamination/cyclisation catalysis.
• Authors of publication: Zulys, Agustino; Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2584 - 2585
• a: 12.305 ± 0.0008 Å
• b: 19.623 ± 0.0013 Å
• c: 15.65 ± 0.001 Å
• α: 90°
• β: 99.364 ± 0.008°
• γ: 90°
• Cell volume: 3728.5 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No