Information card for entry 4101624

Structure parameters

• Formula: C96 H180 B3 N18 O5 Si4 Y3
• Calculated formula: C96 H180 B3 N18 O5 Si4 Y3
• 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: 17.0572 ± 0.0008 Å
• b: 19.6657 ± 0.0009 Å
• c: 20.5279 ± 0.0009 Å
• α: 97.1478 ± 0.0006°
• β: 106.822 ± 0.0006°
• γ: 109.729 ± 0.0006°
• Cell volume: 6012.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No