Information card for entry 7216056

Structure parameters

• Chemical name: 2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride
• Formula: C16 H13 Cl5 Co N4
• Calculated formula: C16 H13 Cl5 Co N4
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[Cl-].n1c(c2[nH+]c3c(cc2)c[nH+]cc3)ccc2c[nH+]ccc12
• 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: 6.2231 ± 0.0005 Å
• b: 10.3057 ± 0.0008 Å
• c: 15.4812 ± 0.0011 Å
• α: 75.295 ± 0.001°
• β: 79.299 ± 0.001°
• γ: 74.715 ± 0.001°
• Cell volume: 918.84 ± 0.12 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: 0.032
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No