Information card for entry 2212660

Structure parameters

• Chemical name: tris(2,2'-bipyridyl-κ^2^N,N')copper(II) hexafluoridophosphate
• Formula: C30 H24 Cu F12 N6 P2
• Calculated formula: C30 H24 Cu F12 N6 P2
• SMILES: [Cu]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')copper(II) hexafluoridophosphate
• Authors of publication: Wang, Li; Yang, Xue-Yun; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m835 - m836
• a: 10.4344 ± 0.0005 Å
• b: 10.4344 ± 0.0005 Å
• c: 26.324 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2482.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes