Information card for entry 7216058

Structure parameters

• Common name: 6,6'-diisoquinolin-2,2'-ium dichloride dihydrate
• Chemical name: 6,6'-diisoquinolin-2,2'-ium dichloride dihydrate
• Formula: C18 H18 Cl2 N2 O2
• Calculated formula: C18 H18 Cl2 N2 O2
• Title of publication: Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions
• Authors of publication: Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 106
• Pages of publication: 633
• a: 4.9715 ± 0.0019 Å
• b: 9.162 ± 0.004 Å
• c: 10.233 ± 0.004 Å
• α: 109.757 ± 0.007°
• β: 92.325 ± 0.007°
• γ: 98.082 ± 0.007°
• Cell volume: 432.4 ± 0.3 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No