Information card for entry 4067352

Structure parameters

• Formula: C16 H34 I2 O5 Sr
• Calculated formula: C16 H34 I2 O5 Sr
• SMILES: [Sr]1(I)(I)([O](CC[O]1C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Stability and Reactivity of Phenylstrontium Compounds in Solution
• Authors of publication: Langer, Jens; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2034
• a: 17.1871 ± 0.0004 Å
• b: 8.9208 ± 0.0004 Å
• c: 16.1756 ± 0.0006 Å
• α: 90°
• β: 99.6 ± 0.002°
• γ: 90°
• Cell volume: 2445.36 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No