Information card for entry 1517185

Structure parameters

• Formula: C48 H74 Lu N2 O P Si2
• Calculated formula: C48 H74 Lu N2 O P Si2
• SMILES: [Lu]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: 3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism
• Authors of publication: Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 4971
• a: 11.8843 ± 0.0004 Å
• b: 12.5062 ± 0.0004 Å
• c: 19.4482 ± 0.0007 Å
• α: 78.546 ± 0.001°
• β: 81.9 ± 0.001°
• γ: 62.267 ± 0.001°
• Cell volume: 2503.61 ± 0.15 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: 0.0303
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No