Information card for entry 4112787

Structure parameters

• Formula: C43 H69 N2 O Sc Si2
• Calculated formula: C43 H69 N2 O Sc Si2
• SMILES: [Sc]1([O]2CCCC2)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals
• Authors of publication: Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9182 - 9183
• a: 11.371 ± 0.001 Å
• b: 19.975 ± 0.002 Å
• c: 19.02 ± 0.002 Å
• α: 90°
• β: 94.196 ± 0.002°
• γ: 90°
• Cell volume: 4308.5 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0953
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No