Information card for entry 2011886

Structure parameters

• Chemical name: (Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate
• Formula: C22 H16 B Cu F4 N7
• Calculated formula: C22 H16 B Cu F4 N7
• SMILES: [Cu]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)[N]#C[N-]C#N.[B](F)(F)(F)[F-]
• Title of publication: Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate
• Authors of publication: Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 363 - 365
• a: 8.6469 ± 0.0005 Å
• b: 17.8651 ± 0.0008 Å
• c: 28.7434 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4440.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes