Information card for entry 4063617

Structure parameters

• Formula: C26 H58 B Lu N2 O Si2
• Calculated formula: C26 H58 B Lu N2 O Si2
• SMILES: [Lu]1234([O]5CCCC5)([N]5([B]1([CH]2=[C]3([CH]4=5)C)N(C(C)C)C(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: 1,2-Azaborolyl-Ligated Half-Sandwich Complexes of Scandium(III) and Lutetium(III): Synthesis, Structures, and Syndiotactic Polymerization of Styrene
• Authors of publication: Fang, Xiangdong; Li, Xiaofang; Hou, Zhaomin; Assoud, Jalil; Zhao, Rui
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 517 - 522
• a: 9.2953 ± 0.0006 Å
• b: 10.4744 ± 0.0007 Å
• c: 19.1047 ± 0.0012 Å
• α: 94.948 ± 0.001°
• β: 97.502 ± 0.001°
• γ: 111.509 ± 0.001°
• Cell volume: 1697.5 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No