Information card for entry 4339232

Structure parameters

• Common name: 05344
• Formula: C62 H94 N2 O4 Zn2
• Calculated formula: C62 H94 N2 O4 Zn2
• Title of publication: Structural and mechanistic studies of bis(phenolato)amine zinc(II) catalysts for the polymerization of epsilon-caprolactone.
• Authors of publication: Silvernail, Carter M.; Yao, Letitia J.; Hill, Lyndal M. R.; Hillmyer, Marc A.; Tolman, William B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6565 - 6574
• a: 16.0692 ± 0.0009 Å
• b: 11.7798 ± 0.0007 Å
• c: 16.8352 ± 0.001 Å
• α: 90°
• β: 109.044 ± 0.002°
• γ: 90°
• Cell volume: 3012.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No