Information card for entry 7216840

Structure parameters

• Formula: C22 H16 Cu N6 O2
• Calculated formula: C22 H16 Cu N6 O2
• Title of publication: Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands
• Authors of publication: Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6345
• a: 8.4693 ± 0.0006 Å
• b: 14.305 ± 0.001 Å
• c: 15.7364 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No