Information card for entry 7020690

Structure parameters

• Common name: trisaqua(1,4,10,13-tetraoxa-7,16- dithiacyclooctadecane)strontium iodide hydrate
• Chemical name: trisaqua(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)strontium iodide hydrate
• Formula: C12 H32 I2 O8 S2 Sr
• Calculated formula: C12 H24 I2 O8 S2 Sr
• SMILES: [Sr]12345([S]6CC[O]2CC[O]3CC[S]1CC[O]4CC[O]5CC6)([OH2])([OH2])[OH2].[I-].[I-].O
• 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: 10.452 ± 0.004 Å
• b: 18.58 ± 0.007 Å
• c: 13.866 ± 0.005 Å
• α: 90°
• β: 112.182 ± 0.006°
• γ: 90°
• Cell volume: 2493.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No