Information card for entry 4102506

Structure parameters

• Common name: ToMZnCl
• Chemical name: tris(4,4-dimethyl-2-oxazolinyl)phenylborato chlorozinc
• Formula: C21 H29 B Cl N3 O3 Zn
• Calculated formula: C21 H29 B Cl N3 O3 Zn
• SMILES: [Zn]12(Cl)[N]3C(COC=3[B](C3OCC([N]1=3)(C)C)(c1ccccc1)C1OCC([N]2=1)(C)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: 10.8588 ± 0.0005 Å
• b: 13.3188 ± 0.0006 Å
• c: 16.0558 ± 0.0007 Å
• α: 90°
• β: 97.524 ± 0.001°
• γ: 90°
• Cell volume: 2302.1 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No