Information card for entry 7058312

Structure parameters

• Chemical name: diphenyl ditelluride 1,4-diiodotetrafluorobenzene
• Formula: C15 H10 F2 I Te2
• Calculated formula: C15 H10 F2 I Te2
• Title of publication: Energy framework approach to the supramolecular reactions: interplay of the secondary bonding interaction in Ph2E2 (E = Se, Te)/p-I-C6F4-I co-crystals
• Authors of publication: Torubaev, Yury V.; Rai, Dhirendra K.; Skabitsky, Ivan V.; Pakhira, Srimanta; Dmitrienko, Artem
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7941
• a: 10.1451 ± 0.0006 Å
• b: 6.1237 ± 0.0003 Å
• c: 26.0712 ± 0.0015 Å
• α: 90°
• β: 91.241 ± 0.001°
• γ: 90°
• Cell volume: 1619.31 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No