Information card for entry 7033212

Structure parameters

• Formula: C10 H8 Cl6 I2 N2
• Calculated formula: C10 H8 Cl6 I2 N2
• SMILES: [I](Cl)(Cl)(Cl)[Cl-].[I]1(Cl)(Cl)[n]2c(c3[n]1cccc3)cccc2
• Title of publication: A 2,2'-bipyridine coordination complex of [ICl2](.).
• Authors of publication: Shaw, Andrew J. M.; Corbo, Robert; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15083 - 15087
• a: 8.0564 ± 0.0016 Å
• b: 13.093 ± 0.003 Å
• c: 16.894 ± 0.003 Å
• α: 90°
• β: 97.39 ± 0.03°
• γ: 90°
• Cell volume: 1767.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No