Information card for entry 7244220

Structure parameters

• Chemical name: diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene
• Formula: C15 H10 F2 I Te2
• Calculated formula: C15 H10 F2 I Te2
• Title of publication: Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2
• Authors of publication: Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 1442 - 1452
• a: 13.2557 ± 0.001 Å
• b: 5.3985 ± 0.0004 Å
• c: 23.3604 ± 0.0018 Å
• α: 90°
• β: 103.761 ± 0.001°
• γ: 90°
• Cell volume: 1623.7 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0242
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No