Information card for entry 2214939

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(nitrato-κ<i>O</i>)(1,10- phenanthroline-κ^2^N,N')copper(II)] dinitrate
• Formula: C34 H28 Cu2 N10 O14
• Calculated formula: C34 H28 Cu2 N10 O14
• SMILES: c1ccc2c3[n]1[Cu]([n]1cccc(c31)cc2)([n]1ccc(cc1)c1cc[n](cc1)[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(ON(=O)=O)[OH2])(ON(=O)=O)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate
• Authors of publication: Zhong-Xiang Du; Jun-Xia Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2282 - m2282
• a: 7.3754 ± 0.0018 Å
• b: 8.925 ± 0.002 Å
• c: 13.812 ± 0.003 Å
• α: 92.347 ± 0.002°
• β: 97.596 ± 0.002°
• γ: 96.311 ± 0.003°
• Cell volume: 894.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes