Information card for entry 4503225

Structure parameters

• Chemical name: [{2,2'-bipyridine-4,4'-diamine}di(nitro)copper(II)]
• Formula: C10 H10 Cu N6 O6
• Calculated formula: C10 H10 Cu N6 O6
• SMILES: c12c3cc(cc[n]3[Cu]34([n]2ccc(c1)N)([O]=N(=O)O3)ON(=[O]4)=O)N
• 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: 14.744 ± 0.0012 Å
• b: 8.951 ± 0.0007 Å
• c: 10.0648 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.29 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No