Information card for entry 4342322

Structure parameters

• Formula: C20 H16 Cu F6 N8 P
• Calculated formula: C20 H16 Cu F6 N8 P
• SMILES: [Cu]12([n]3ccccc3N=[N]1c1ccccn1)[n]1ccccc1N=[N]2c1ccccn1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.
• Authors of publication: Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1300 - 1313
• a: 7.3353 ± 0.0003 Å
• b: 12.3442 ± 0.0006 Å
• c: 12.7166 ± 0.0009 Å
• α: 100.635 ± 0.004°
• β: 92.653 ± 0.004°
• γ: 100.53 ± 0.004°
• Cell volume: 1108.81 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No