Information card for entry 4078936

Structure parameters

• Formula: C27 H45 N2 Y
• Calculated formula: C27 H45 N2 Y
• SMILES: [Y]123456789([N](=CN1C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Reactivity of the Y3+Tuck-Over Hydride Complex, (C5Me5)2Y(μ-H)(μ-CH2C5Me4)Y(C5Me5)
• Authors of publication: Schmiege, Benjamin M.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5591
• a: 18.3638 ± 0.0009 Å
• b: 16.0124 ± 0.0008 Å
• c: 20.077 ± 0.001 Å
• α: 90°
• β: 117.155 ± 0.0006°
• γ: 90°
• Cell volume: 5252.9 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No