Information card for entry 4113578

Structure parameters

• Formula: C36 H74 I4 O11 Sr3
• Calculated formula: C36 H74 I4 O11 Sr3
• SMILES: [Sr]123([O]4CCCC4)([O]4CCCC4)([O]4CCCC4)[I][Sr]45([O]6CCCC6)([O]6CCCC6)([O]6CCCC6)[I][Sr]([OH]14)([OH]25)([I]3)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[I-]
• Title of publication: Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations
• Authors of publication: Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3593 - 3604
• a: 19.136 ± 0.003 Å
• b: 19.136 ± 0.003 Å
• c: 25.373 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8046 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.206
• Residual factor for significantly intense reflections: 0.1631
• Weighted residual factors for significantly intense reflections: 0.4797
• Weighted residual factors for all reflections included in the refinement: 0.5294
• Goodness-of-fit parameter for all reflections included in the refinement: 4.533
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No