Information card for entry 4070792

Structure parameters

• Formula: C27 H53 N3 O2 Si2 Yb
• Calculated formula: C27 H53 N3 O2 Si2 Yb
• SMILES: C12=CC=CC=CC1=[N](C(C)C)[Yb](N2C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction
• Authors of publication: Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1207
• a: 9.981 ± 0.0005 Å
• b: 14.7544 ± 0.0011 Å
• c: 11.2266 ± 0.0007 Å
• α: 90°
• β: 96.299 ± 0.005°
• γ: 90°
• Cell volume: 1643.29 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No