Information card for entry 2008989

Structure parameters

• Chemical name: 1,10-dihydro-1,10-phenanthrolinium iodinium-dichlorido chloride.
• Formula: C12 H10 Cl3 I N2
• Calculated formula: C12 H10 Cl3 I N2
• SMILES: c1ccc2ccc3ccc[nH+]c3c2[nH+]1.[I-](Cl)Cl.[Cl-]
• Title of publication: 1,10-Phenanthrolinium(2+) dichloroiodide(1 ‒) chloride
• Authors of publication: Wang, Zhe-Ming; Wang, Yan-Qia; 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: 1506 - 1508
• a: 25.1766 ± 0.001 Å
• b: 6.6867 ± 0.0003 Å
• c: 19.3304 ± 0.0007 Å
• α: 90°
• β: 113.807 ± 0.003°
• γ: 90°
• Cell volume: 2977.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes