Information card for entry 4313119

Structure parameters

• Formula: C35 H67 B O9 Si2 Zr
• Calculated formula: C35 H66.4444 B O9 Si2 Zr
• Title of publication: Tris(tert-butoxy)siloxy Derivatives of Boron, Including the Boronous Acid HOB[OSi(OtBu)3]2 and the Metal (Siloxy)boryloxide Complex Cp2Zr(Me)OB[OSi(OtBu)3]2: A Remarkable Crystal Structure with 18 Independent Molecules in Its Asymmetric Unit
• Authors of publication: Kyle L. Fujdala; Allen G. Oliver; Frederick J. Hollander; T. Don Tilley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1140 - 1150
• a: 33.0365 ± 0.0006 Å
• b: 34.9417 ± 0.0007 Å
• c: 40.9629 ± 0.0008 Å
• α: 103.134 ± 0.001°
• β: 92.809 ± 0.001°
• γ: 118.206 ± 0.001°
• Cell volume: 39900.9 ± 1.4 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.163
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No