Information card for entry 7033214

Structure parameters

• Formula: C16 H35 Cl4 I N
• Calculated formula: C16 H35 Cl4 I N
• SMILES: [I](Cl)(Cl)(Cl)[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 14.863 ± 0.003 Å
• b: 8.7539 ± 0.0018 Å
• c: 18.783 ± 0.004 Å
• α: 90°
• β: 108.06 ± 0.03°
• γ: 90°
• Cell volume: 2323.4 ± 0.9 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: 0.0579
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No