Information card for entry 2240178

Structure parameters

• Chemical name: Bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)
• Formula: C44 H40 I6 O4 P2 Te
• Calculated formula: C44 H40 I6 O4 P2 Te
• SMILES: C1(=O)OCC(C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Te](I)(I)(I)(I)([I-])[I-].C1(=O)CC(CO1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)
• Authors of publication: Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1241
• a: 9.4479 ± 0.0019 Å
• b: 11.022 ± 0.002 Å
• c: 13.259 ± 0.003 Å
• α: 74.64 ± 0.03°
• β: 69.7 ± 0.03°
• γ: 77.28 ± 0.03°
• Cell volume: 1236.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes