Information card for entry 7216057

Structure parameters

• Chemical name: 4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O
• Formula: C50 H39 N2 O10.5 P2
• Calculated formula: C50 H39 N2 O10.5 P2
• 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: 19.004 ± 0.016 Å
• b: 12.519 ± 0.011 Å
• c: 19.141 ± 0.018 Å
• α: 90°
• β: 110.093 ± 0.017°
• γ: 90°
• Cell volume: 4277 ± 7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No