Information card for entry 7020689

Structure parameters

• Common name: trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide
• Chemical name: trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide
• Formula: C10 H26 I2 O6 S2 Sr
• Calculated formula: C10 H20 I2 O6 S2 Sr
• SMILES: [Sr]1234([S]5CC[S]1CC[O]2CC[O]3CC[O]4CC5)([OH2])([OH2])[OH2].[I-].[I-]
• Title of publication: s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.
• Authors of publication: Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 89 - 99
• a: 9.506 ± 0.004 Å
• b: 17.63 ± 0.007 Å
• c: 12.782 ± 0.005 Å
• α: 90°
• β: 92.101 ± 0.007°
• γ: 90°
• Cell volume: 2140.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No