Information card for entry 4339231

Structure parameters

• Chemical name: methylamino-N,N-bis(2-methylene-4-adamantyl-6-tert-butyl- phenolato) zinc(II) dimer, (4)
• Formula: C100 H134 N2 O4 Zn2
• Calculated formula: C93 H126 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: 15.6058 ± 0.0011 Å
• b: 15.9189 ± 0.0012 Å
• c: 19.5961 ± 0.0014 Å
• α: 84.4704 ± 0.0013°
• β: 69.2801 ± 0.0012°
• γ: 70.5606 ± 0.0012°
• Cell volume: 4292.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No