Information card for entry 7247288

Structure parameters

• Formula: C12 H14 Cl5 I N2
• Calculated formula: C12 H14 Cl5 I N2
• Title of publication: Halogen bonding in chloroiodates(iii)
• Authors of publication: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 37
• Pages of publication: 5233 - 5237
• a: 7.4887 ± 0.0005 Å
• b: 7.6756 ± 0.0005 Å
• c: 8.0494 ± 0.0005 Å
• α: 93.199 ± 0.002°
• β: 110.363 ± 0.002°
• γ: 95.058 ± 0.003°
• Cell volume: 430.22 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No