Information card for entry 4086191

Structure parameters

• Formula: C48 H74 N2 O P Sc Si2
• Calculated formula: C48 H74 N2 O P Sc Si2
• SMILES: [Sc]1([N](=P(N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity
• Authors of publication: Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4063
• a: 11.8059 ± 0.0008 Å
• b: 12.4845 ± 0.0008 Å
• c: 19.3963 ± 0.0014 Å
• α: 79.054 ± 0.001°
• β: 82.128 ± 0.001°
• γ: 62.13 ± 0.001°
• Cell volume: 2477.4 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No