Information card for entry 4070410

Structure parameters

• Formula: C26 H38 Er I O3
• Calculated formula: C26 H38 Er I O3
• SMILES: [Er](I)(Cc1ccccc1)(Cc1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Heteroleptic [M(CH2C6H5)2(I)(THF)3] Complexes (M = Y or Er): Remarkably Stable Precursors to Yttrium and Erbium T-Shaped Carbenes
• Authors of publication: Mills, David P.; Wooles, Ashley J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6771
• a: 8.4244 ± 0.0006 Å
• b: 21.3331 ± 0.0014 Å
• c: 14.9588 ± 0.001 Å
• α: 90°
• β: 104.078 ± 0.002°
• γ: 90°
• Cell volume: 2607.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0314
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No