Information card for entry 2008883

Structure parameters

• Chemical name: Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride
• Formula: C24 H18 Cl3 I3 N4
• Calculated formula: C24 H18 Cl3 I3 N4
• SMILES: c1c2ccc3cccnc3c2[nH+]cc1.[I-](Cl)Cl.II.[nH+]1c2c(ccc3cccnc23)ccc1.[Cl-]
• Title of publication: Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 ‒) dichloroiodide(1 ‒)
• Authors of publication: Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1503 - 1506
• a: 8.9031 ± 0.0004 Å
• b: 15.7897 ± 0.0006 Å
• c: 20.0697 ± 0.0007 Å
• α: 90°
• β: 99.569 ± 0.004°
• γ: 90°
• Cell volume: 2782.09 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes