Information card for entry 7005598

Structure parameters

• Formula: C41.33 H42 B0.67 F6.67 N8 O18 Pd S1.33
• Calculated formula: C41.3333 H32 B0.666667 F6.66667 N8 O18 Pd S1.33333
• SMILES: [Pd]([n]1ccc(cc1)c1ccn(=O)cc1)([n]1ccc(cc1)c1ccn(=O)cc1)([n]1ccc(cc1)c1ccn(=O)cc1)[n]1ccc(cc1)c1ccn(=O)cc1.[Pd]([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)[n]1ccc(cc1)c1cc[n+]([O-])cc1.[Pd]([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)[n]1ccc(cc1)c1cc[n+]([O-])cc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• 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: 20.624 ± 0.0018 Å
• b: 21.3105 ± 0.0019 Å
• c: 22.366 ± 0.002 Å
• α: 63.191 ± 0.002°
• β: 64.445 ± 0.002°
• γ: 82.821 ± 0.002°
• Cell volume: 7885.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No