Information card for entry 7020688

Structure parameters

• Common name: trisaqua(1,4,10,13-tetraoxa-7,16- diselenacyclooctadecane)strontium(ii) iodide
• Chemical name: trisaqua(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)strontium(II) iodide
• Formula: C12 H30 I2 O7 Se2 Sr
• Calculated formula: C12 H24 I2 O7 Se2 Sr
• SMILES: [Sr]12345([Se]6CC[O]2CC[O]3CC[Se]1CC[O]4CC[O]5CC6)([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: 10.23 ± 0.0018 Å
• b: 14.005 ± 0.002 Å
• c: 16.244 ± 0.003 Å
• α: 90°
• β: 91.305 ± 0.006°
• γ: 90°
• Cell volume: 2326.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No