Information card for entry 4118463

Structure parameters

• Common name: ToMZnCH2Ph
• Formula: C29.75 H38 B N3 O3 Zn
• Calculated formula: C29.75 H38 B N3 O3 Zn
• Title of publication: Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2
• Authors of publication: Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13018 - 13026
• a: 14.715 ± 0.0019 Å
• b: 15.19 ± 0.002 Å
• c: 15.357 ± 0.002 Å
• α: 92.092 ± 0.002°
• β: 107.853 ± 0.002°
• γ: 106.327 ± 0.002°
• Cell volume: 3107.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No