Information card for entry 4101620

Structure parameters

• Formula: C39 H76 B N6 O Si2 Y
• Calculated formula: C39 H76 B N6 O Si2 Y
• Title of publication: Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.
• Authors of publication: Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Journal issue: 1
• Pages of publication: 2 - 3
• a: 15.3624 ± 0.0007 Å
• b: 16.4958 ± 0.0007 Å
• c: 18.56 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4703.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No