Information card for entry 4078989

Structure parameters

• Formula: C48 H96 N6 O0 Si4 Y2
• Calculated formula: C48 H96 N6 Si4 Y2
• SMILES: C1CCCCN1C[C]12=[CH]3[CH]4=[C]56C[N]7(CCCCC7)[Y]78(C[Si](C)(C)C)(C[Si](C)(C)C)[N]15[Y]159%102346([C]2(=[CH]1[CH]5=[C]9(CN1CCCCC1)[N]8%102)C[N]17CCCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene
• Authors of publication: Wang, Lingfang; Liu, Dongtao; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6014
• a: 11.7302 ± 0.0005 Å
• b: 15.902 ± 0.0007 Å
• c: 17.1849 ± 0.0007 Å
• α: 89.594 ± 0.001°
• β: 73.108 ± 0.001°
• γ: 70.807 ± 0.001°
• Cell volume: 2882.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No