Information card for entry 4072549

Structure parameters

• Formula: C66 H88 N4 O P2 Si4 Y2
• Calculated formula: C66 H88 N4 O P2 Si4 Y2
• SMILES: [Y]12345(N(c6c([P]2(c2ccccc2)c2ccccc2)cccc6)C(C[Si](C)(C)C)[C]26=[CH]7[Y]89%10%11%12%132([CH](=[CH]79)[N]468)([CH]2=[C]%10(C(N1c1c([P]3(c3ccccc3)c3ccccc3)cccc1)C[Si](C)(C)C)[N]5%11[CH]%12=[CH]%132)(C[Si](C)(C)C)C[Si](C)(C)C)[O]1CCCC1
• Title of publication: Pyrrolide-Ligated Organoyttrium Complexes. Synthesis, Characterization, and Lactide Polymerization Behavior
• Authors of publication: Yang, Yi; Li, Shihui; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 671
• a: 20.3821 ± 0.0008 Å
• b: 19.3542 ± 0.0007 Å
• c: 22.0003 ± 0.0009 Å
• α: 90°
• β: 116.168 ± 0.001°
• γ: 90°
• Cell volume: 7789.1 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No