Information card for entry 7005597

Structure parameters

• Formula: C40 H39 Cu F12 N8 O7.5 P2
• Calculated formula: C40 H36 Cu F12 N8 O9 P2
• Title of publication: 4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions.
• Authors of publication: Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2870 - 2875
• a: 17.183 ± 0.008 Å
• b: 17.183 ± 0.008 Å
• c: 8.128 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No