Information card for entry 2209081

Structure parameters

• Chemical name: Bis(bipyridine-κ^2^N,N')nitratocopper(II) hexafluorophosphate
• Formula: C20 H16 Cu F6 N5 O3 P
• Calculated formula: C20 H16 Cu F6 N5 O3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].N(=O)(=O)O[Cu]12([n]3ccccc3c3[n]2cccc3)[n]2ccccc2c2[n]1cccc2
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II) hexafluorophosphate
• Authors of publication: Beobide, Garikoitz; Castillo, Oscar; García-Couceiro, Urko; García-Terán, Juan P.; Luque, Antonio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1353 - m1355
• a: 7.449 ± 0.001 Å
• b: 11.329 ± 0.002 Å
• c: 14.564 ± 0.002 Å
• α: 111.27 ± 0.02°
• β: 99.16 ± 0.01°
• γ: 98.52 ± 0.02°
• Cell volume: 1102 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes