Information card for entry 4086193

Structure parameters

• Formula: C48 H74 Er N2 O P Si2
• Calculated formula: C48 H74 Er N2 O P Si2
• SMILES: [Er]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: 11.9023 ± 0.0006 Å
• b: 12.5177 ± 0.0007 Å
• c: 19.4614 ± 0.001 Å
• α: 78.325 ± 0.001°
• β: 81.887 ± 0.001°
• γ: 62.323 ± 0.001°
• Cell volume: 2510.9 ± 0.2 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No