Information card for entry 4102508

Structure parameters

• Common name: ToMZnH
• Chemical name: tris(4,4-dimethyl-2-oxazolinyl)phenylborato hydridozinc
• Formula: C21 H30 B N3 O3 Zn
• Calculated formula: C21 H30 B N3 O3 Zn
• SMILES: [ZnH]12[N]3C(C)(C)COC=3[B](C3=[N]1C(C)(C)CO3)(C1=[N]2C(C)(C)CO1)c1ccccc1
• 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: 10.6937 ± 0.0005 Å
• b: 13.4024 ± 0.0006 Å
• c: 15.9975 ± 0.0008 Å
• α: 90°
• β: 99.784 ± 0.001°
• γ: 90°
• Cell volume: 2259.43 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0722
• 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