Information card for entry 7058311

Structure parameters

• Chemical name: diphenyl diseleride 1,2,4,5-tetrafluoro-3,6-diiodobenzene
• Formula: C15 H10 F2 I Se2
• Calculated formula: C15 H10 F2 I Se2
• 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: 10.1178 ± 0.0007 Å
• b: 5.6743 ± 0.0004 Å
• c: 26.6419 ± 0.0018 Å
• α: 90°
• β: 94.613 ± 0.001°
• γ: 90°
• Cell volume: 1524.59 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0322
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No