Information card for entry 4078988

Structure parameters

• Formula: C24 H48 N3 O0 Sc Si2
• Calculated formula: C24 H48 N3 Sc Si2
• SMILES: c12ccc3C[N]4(CCCCC4)[Sc](C[Si](C)(C)C)(C[Si](C)(C)C)(n23)[N]2(C1)CCCCC2
• Title of publication: NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene
• Authors of publication: Wang, Lingfang; Liu, Dongtao; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6014
• a: 10.7012 ± 0.0005 Å
• b: 19.0875 ± 0.0008 Å
• c: 28.4803 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5817.4 ± 0.4 ų
• Cell temperature: 11 ± 2 K
• Ambient diffraction temperature: 11 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No