Information card for entry 4503224

Structure parameters

• Chemical name: [bis{2,2'-bipyridine-4,4'-diol}copper(II)] nitrate hydrate
• Formula: C20 H18 Cu N6 O11
• Calculated formula: C20 H18 Cu N6 O11
• SMILES: [Cu]12([n]3c(c4[n]1ccc(O)c4)cc(O)cc3)[n]1c(c3[n]2ccc(O)c3)cc(O)cc1.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites
• Authors of publication: Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 643
• a: 7.0604 ± 0.0008 Å
• b: 11.1943 ± 0.0012 Å
• c: 15.5157 ± 0.0016 Å
• α: 100.739 ± 0.002°
• β: 93.515 ± 0.002°
• γ: 108.297 ± 0.002°
• Cell volume: 1134.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No