Information card for entry 4069543

Structure parameters

• Formula: C167 H240 Lu4 N8 O4 P4 Si8
• Calculated formula: C167 H240 Lu4 N8 O4 P4 Si8
• SMILES: [Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cccc1)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.[Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cccc1)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.[Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cccc1)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.[Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cccc1)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.c1ccccc1C
• Title of publication: Highly 3,4-Selective Polymerization of Isoprene with NPN Ligand Stabilized Rare-Earth Metal Bis(alkyl)s. Structures and Performances
• Authors of publication: Li, Shihui; Cui, Dongmei; Li, Danfeng; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4814
• a: 20.541 ± 0.002 Å
• b: 21.251 ± 0.002 Å
• c: 40.106 ± 0.004 Å
• α: 90°
• β: 90.316 ± 0.002°
• γ: 90°
• Cell volume: 17507 ± 3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• 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: 0.1342
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No