Information card for entry 7216059

Structure parameters

• Chemical name: 2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate
• Formula: C16 H16 Cl2 N4 O2
• Calculated formula: C16 H16 Cl2 N4 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: 4.9382 ± 0.0006 Å
• b: 9.1344 ± 0.0011 Å
• c: 10.2335 ± 0.0012 Å
• α: 110.667 ± 0.002°
• β: 91.904 ± 0.002°
• γ: 98.093 ± 0.002°
• Cell volume: 425.88 ± 0.09 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No