Information card for entry 4069858

Structure parameters

• Formula: C34 H60 Ir Si2 Y
• Calculated formula: C34 H60 Ir Si2 Y
• SMILES: [Ir]123456([H][Y]789%10%11%12%13%14([c]%15([Si](C)(C)C)[c]8([c]9([c]%10([c]%11%15C)C)C)C)([c]8([Si](C)(C)C)[c]%12([c]%13([c]%14([c]78C)C)C)C)([H]6)[H]1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Lanthanide Terminal Hydride Complexes Bearing Two Sterically Demanding C5Me4SiMe3Ligands. Synthesis, Structure, and Reactivity
• Authors of publication: Takenaka, Yasumasa; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5196
• a: 10.0138 ± 0.001 Å
• b: 18.526 ± 0.0018 Å
• c: 20.02 ± 0.002 Å
• α: 90°
• β: 95.732 ± 0.002°
• γ: 90°
• Cell volume: 3695.5 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No