Information card for entry 4110729

Structure parameters

• Common name: [Cp^*^~3~Y~3~(μ-Cl)3(μ3-Cl)(μ3-CH~2~)(THF)~3]
• Formula: C43 H71 Cl4 O3 Y3
• Calculated formula: C43 H71 Cl4 O3 Y3
• SMILES: [Y]1234567([Cl][Y]89%10%11%12%13([Cl][Y]%14%15%16%17([Cl]1)([Cl]28)([CH2]39)([O]1CCCC1)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([O]1CCCC1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)([O]1CCCC1)[c]1([c]6([c]7([c]4([c]51C)C)C)C)C
• Title of publication: "Ionic Carbenes": Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes
• Authors of publication: H. Martin Dietrich; Karl W. Törnroos; Reiner Anwander
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9298 - 9299
• a: 12.5935 ± 0.0006 Å
• b: 19.8342 ± 0.0009 Å
• c: 18.6469 ± 0.0009 Å
• α: 90°
• β: 91.107 ± 0.001°
• γ: 90°
• Cell volume: 4656.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No