Information card for entry 7244221

Structure parameters

• Chemical name: diphenylditelluride 1,4-diiodo-tetrafluorobenzene
• Formula: C18 H10 F4 I2 Te2
• Calculated formula: C18 H10 F4 I2 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: 6.82 ± 0.0004 Å
• b: 8.6628 ± 0.0005 Å
• c: 33.6106 ± 0.0019 Å
• α: 90°
• β: 92.684 ± 0.002°
• γ: 90°
• Cell volume: 1983.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No