Information card for entry 4060418

Structure parameters

• Formula: C39 H47 N2 P2 Si2 Sm
• Calculated formula: C39 H47 N2 P2 Si2 Sm
• SMILES: [CH]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]1[Sm]192345678C(P(c2ccccc2)(c2ccccc2)=[N]1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]9[Si](C)(C)C
• Title of publication: Cyclooctatetraene Complexes of Yttrium and the Lanthanides with Bis(phosphinimino)methanides: Synthesis, Structure, and Hydroamination/Cyclization Catalysis
• Authors of publication: Panda, Tarun K.; Zulys, Agustino; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2197 - 2202
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No