Information card for entry 4102509

Structure parameters

• Common name: ToMZnOtBu
• Chemical name: tris(4,4-dimethyl-2-oxazolinyl)phenylborato t-butoxido zinc
• Formula: C25 H38 B N3 O4 Zn
• Calculated formula: C25 H38 B N3 O4 Zn
• SMILES: [Zn]12([N]3=C([B](C4=[N]2C(C)(CO4)C)(C2=[N]1C(C)(CO2)C)c1ccccc1)OCC3(C)C)OC(C)(C)C
• Title of publication: Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl
• Authors of publication: Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7582 - 7583
• a: 8.9377 ± 0.0005 Å
• b: 11.6073 ± 0.0007 Å
• c: 13.8143 ± 0.0009 Å
• α: 96.095 ± 0.001°
• β: 108.524 ± 0.001°
• γ: 91.233 ± 0.001°
• Cell volume: 1348.88 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No