Information card for entry 4122340

Structure parameters

• Formula: C26 H20 Cl4 I3 In N4
• Calculated formula: C26 H20 Cl4 I3 In N4
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[In]14([n]2cccc3ccc4ccc[n]1c4c23)(I)I.C(Cl)Cl.C(Cl)Cl.[I-]
• Title of publication: Diiodoindium(III) Cation, InI2(+), a Potent Yneophile. Generation and Application to Cationic Cyclization by Selective π-Activation of C\τb C.
• Authors of publication: Surendra, Karavadhi; Corey, E. J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10918 - 10920
• a: 11.429 ± 0.004 Å
• b: 14.606 ± 0.005 Å
• c: 18.998 ± 0.007 Å
• α: 90°
• β: 93.961 ± 0.006°
• γ: 90°
• Cell volume: 3163.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No