Information card for entry 4102510

Structure parameters

• Common name: [THF2Li][ToMZn(Cl)N(SiHMe2)2]
• Chemical name: bis(tetrahydrofuran)lithium tris(4,4-dimethyl-2-oxazolinyl)phenylborato chloro tetramethyldisilazato Zinc
• Formula: C37 H67 B Cl Li N4 O6 Si2 Zn
• Calculated formula: C37 H67 B Cl Li N4 O6 Si2 Zn
• SMILES: [Zn]1(Cl)(N([SiH](C)C)[SiH](C)C)[N]2C(COC=2[B]2(C3=[N]1C(C[O]3[Li]([N]1=C2OCC1(C)C)([O]1CCCC1)[O]1CCCC1)(C)C)c1ccccc1)(C)C.C1CCCO1
• 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: 13.135 ± 0.003 Å
• b: 16.024 ± 0.004 Å
• c: 22.34 ± 0.006 Å
• α: 90°
• β: 98.613 ± 0.004°
• γ: 90°
• Cell volume: 4649 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No