Information card for entry 7033213

Structure parameters

• Formula: C10 H9 Cl2 I N2
• Calculated formula: C10 H9 Cl2 I N2
• SMILES: [I](Cl)[Cl-].n1c(c2[nH+]cccc2)cccc1
• 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: 11.666 ± 0.002 Å
• b: 7.9147 ± 0.0016 Å
• c: 13.981 ± 0.003 Å
• α: 90°
• β: 97.62 ± 0.03°
• γ: 90°
• Cell volume: 1279.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No