Information card for entry 2218198

Structure parameters

• Common name: Bis(benzo-15-crown-5-κ^5^O)strontium bis(triiodide)
• Chemical name: Bis(1,4,7,10,13-pentaoxa[13]orthocyclophane)strontium bis(triiodide)
• Formula: C28 H40 I6 O10 Sr
• Calculated formula: C28 H40 I6 O10 Sr
• SMILES: [I-](I)I.[Sr]12345678([O]9CC[O]1c1ccccc1[O]2CC[O]3CC[O]4CC9)[O]1CC[O]5CC[O]6CC[O]7CC[O]8c2ccccc21.I[I-]I
• Title of publication: Bis(benzo-15-crown-5-κ^5^<i>O</i>)strontium bis(triiodide)
• Authors of publication: Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m747
• a: 12.0127 ± 0.0017 Å
• b: 12.8666 ± 0.0012 Å
• c: 13.085 ± 0.002 Å
• α: 90°
• β: 90.245 ± 0.018°
• γ: 90°
• Cell volume: 2022.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.152
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes