Information card for entry 2016816

Structure parameters

• Chemical name: bis{μ-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate
• Formula: C28 H26 Cu2 N6 O14
• Calculated formula: C28 H26 Cu2 N6 O14
• SMILES: N(=O)(=O)[O-].[O]1[Cu]23([O](c4c(cccc4)C=[N]2NC=1c1ccc(O)cc1)[Cu]12([O]=C(N[N]1=Cc1c(cccc1)[O]32)c1ccc(O)cc1)[OH2])[OH2].N(=O)(=O)[O-]
• Title of publication: The new three-dimensional supramolecule bis{μ-2-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate
• Authors of publication: Yin, Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m324 - m326
• a: 13.815 ± 0.008 Å
• b: 12.109 ± 0.004 Å
• c: 18.787 ± 0.008 Å
• α: 90°
• β: 106.55 ± 0.02°
• γ: 90°
• Cell volume: 3013 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes